4,5,6,7-Tetrahydrobenzimidazole - CAS 3752-24-7

Catalog:	BB023317
Product Name:	4,5,6,7-Tetrahydrobenzimidazole
CAS:	3752-24-7
Synonyms:	4,5,6,7-tetrahydro-1H-benzimidazole; 4,5,6,7-tetrahydro-1H-benzimidazole

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Computed Properties

IUPAC Name:	4,5,6,7-tetrahydro-1H-benzimidazole
Description:	4,5,6,7-Tetrahydrobenzimidazole (CAS# 3752-24-7) is a useful reactant for preparation of imidazolylnitroquinoxalinedione.
Molecular Weight:	122.17
Molecular Formula:	C7H10N2
Canonical SMILES:	C1CCC2=C(C1)NC=N2
InChI:	InChI=1S/C7H10N2/c1-2-4-7-6(3-1)8-5-9-7/h5H,1-4H2,(H,8,9)
InChI Key:	KAWYASGZISVRAL-UHFFFAOYSA-N
Boiling Point:	335 °C at 760 mmHg
Density:	1.133 g/cm³
MDL:	MFCD00829762
LogP:	1.28850

Publication Number	Title	Priority Date
CN-111269215-A	Nitrogen-containing heterocyclic organic compound and preparation method and application thereof	20200401
WO-2020261114-A1	2,3-dihydroquinazolin compounds as nav1.8 inhibitors	20190627
WO-2020046975-A1	Methods of treating neurodegenerative diseases	20180829
WO-2019245910-A1	Triazine compounds and uses thereof	20180622
EP-3810600-A1	Triazine compounds and uses thereof	20180622

PMID	Publication Date	Title	Journal
20509026	20110301	Cisplatin-induced emesis: systematic review and meta-analysis of the ferret model and the effects of 5-HT₃ receptor antagonists	Cancer chemotherapy and pharmacology

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Related Functional Groups

Benzimidazoles

[133687-93-1]
5-(trifluoromethyl)benzimidazol-2(3H)-one
[39513-26-3]
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[1508258-32-9]
(R)-tert-butyl 3-(2-amino-7-chloro-1H-benzo[d]imidazol-1-yl)azepane-1-carboxylate
3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-propyl-1H-pyrazol-4-yl]-1-benzylpyrrolidine-2,5-dione
[884069-38-9]
4-(2-Methylbenzimidazolyl)benzenecarbonitrile
[38385-95-4]
2-(4-Piperidyl)-1H-benzoimidazole

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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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.084398327
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.084398327
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1