4-(1H-1,3-Benzodiazol-2-yl)benzonitrile - CAS 4110-15-0

Catalog:	BB061557
Product Name:	4-(1H-1,3-Benzodiazol-2-yl)benzonitrile
CAS:	4110-15-0
Synonyms:	4-(1H-Benzo[d]imidazol-2-yl)benzonitrile; 4-(1h-benzimidazol-2-yl)benzonitrile; 4-(1H-1,3-benzodiazol-2-yl)benzonitrile; 2-(4-Cyanophenyl)benzimidazole; 2-(4-cyanophenyl)-1h-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	4-(1H-benzimidazol-2-yl)benzonitrile
Molecular Weight:	219.24
Molecular Formula:	C14H9N3
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C#N
InChI:	InChI=1S/C14H9N3/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H,(H,16,17)
InChI Key:	INIBMZLOCLDDMA-UHFFFAOYSA-N
References:	An, W.K.,et.al. Catal. Sci. Technol., 10, 5171-5180, (2020).

Publication Number	Title	Priority Date
CN-109456273-A	The method of benzenecarboximidamide class compound synthesis benzimidazole compound is used in microwave method water phase	20181206
CN-109468659-A	The method of room temperature synthesizing benzimidazole under the conditions of electrocatalytic method water phase	20181206
CN-109180590-A	A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free	20180929
WO-2020033359-A1	2-arylbenzimidazoles as ppargc1a activators for treating neurodegenerative diseases	20180806
US-10851066-B2	2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases	20180806
US-2020299244-A1	2-arylbenzimidazoles as ppargc1a activators for treating neurodegenerative diseases	20180806
US-2021061769-A1	2-arylbenzimidazoles as ppargc1a activators for treating neurodegenerative diseases	20180806
BR-112021002165-A2	compound, pharmaceutical composition, and, methods of treating a neurodegenerative disease and cognitive impairment associated with aging and neuroinflammation.	20180806
US-11111217-B2	2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases	20180806
US-2021300877-A1	2-arylbenzimidazoles as ppargc1a activators for treating neurodegenerative diseases	20180806

PMID	Publication Date	Title	Journal
21202542	20080507	4-(1H-Benzimidazol-2-yl)benzonitrile	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	311
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.0796473
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.0796473
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3