1H-Benzimidazole-5-carbaldehyde - CAS 58442-17-4

Catalog:	BB030041
Product Name:	1H-Benzimidazole-5-carbaldehyde
CAS:	58442-17-4
Synonyms:	3H-benzimidazole-5-carboxaldehyde; 3H-benzimidazole-5-carbaldehyde

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Computed Properties

IUPAC Name:	3H-benzimidazole-5-carbaldehyde
Description:	1H-Benzimidazole-5-carbaldehyde (CAS# 58442-17-4) is a useful research chemical.
Molecular Weight:	146.15
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC2=C(C=C1C=O)NC=N2
InChI:	InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)
InChI Key:	ALCHVVTYAHQOFY-UHFFFAOYSA-N
Boiling Point:	448 °C at 760 mmHg
Density:	1.368 g/cm³
MDL:	MFCD08741423
LogP:	1.37540

Publication Number	Title	Priority Date
CN-113045501-A	Preparation method of telmisartan intermediate	20210328
WO-2021114314-A1	Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases	20191214
WO-2021115489-A1	Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases	20191214
WO-2020200316-A1	Pyrazolopyridine compound as ret inhibitor and application thereof	20190403
EP-3556756-A1	Substituted propanamides as inhibitors of nucleases	20180417

PMID	Publication Date	Title	Journal
22666175	20120101	Photoinduced synthesis of new diisochromenochromen-4-ones and their antimicrobial activities	TheScientificWorldJournal

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Related Functional Groups

Carbonyl Compounds

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[1016519-61-1]
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[104496-91-5]
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[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[4313-03-5]
2,4-Heptadienal

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.048012819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3