2-(Cyanomethyl)-5-methylbenzimidazole - CAS 27099-22-5

Name: 2-(Cyanomethyl)-5-methylbenzimidazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019462
Product Name:	2-(Cyanomethyl)-5-methylbenzimidazole
CAS:	27099-22-5
Synonyms:	2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile; 2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile
Description:	2-(Cyanomethyl)-5-methylbenzimidazole (CAS# 27099-22-5) is a useful research chemical compound.
Molecular Weight:	171.20
Molecular Formula:	C10H9N3
Canonical SMILES:	CC1=CC2=C(C=C1)N=C(N2)CC#N
InChI:	InChI=1S/C10H9N3/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4H2,1H3,(H,12,13)
InChI Key:	PDULDINSGIRDOX-UHFFFAOYSA-N
Boiling Point:	443.1 °C at 760 mmHg
Density:	1.244 g/cm³
LogP:	1.93738

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline

Publication Number	Title	Priority Date
CN-110872288-A	Method for synthesizing benzimidazole [1,2-a ] quinoline compound	20180830
DE-4305714-A1	Process for the preparation of substituted and unsubstituted 2- (cyanomethyl) benzimidazole	19930225
EP-0612732-A1	Process for the production of (un)substituted 2-(cyanomethyl)benzimidazole	19930225
EP-0612732-B1	Process for the production of (un)substituted 2-(cyanomethyl)benzimidazole	19930225
JP-H072794-A	Process for producing substituted and unsubstituted 2- (cyanomethyl) benzimidazole	19930225

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0796473
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.0796473
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5