2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile

C11H11N3 — CID 84769737

IUPAC2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile
SMILESCc1nc2ccc(CC#N)cc2n1C
InChIInChI=1S/C11H11N3/c1-8-13-10-4-3-9(5-6-12)7-11(10)14(8)2/h3-4,7H,5H2,1-2H3
InChIKeyRGTYKDSKBDNPID-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.95
Rot. Bonds1

About 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile

2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile (PubChem CID 84769737) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile
PubChem CID84769737
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile
SMILESCc1nc2ccc(CC#N)cc2n1C
InChIInChI=1S/C11H11N3/c1-8-13-10-4-3-9(5-6-12)7-11(10)14(8)2/h3-4,7H,5H2,1-2H3
InChIKeyRGTYKDSKBDNPID-UHFFFAOYSA-N
XLogP1.95
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindazol-6-yl)acetonitrile
CID 84765976
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile
CID 82492655
6-bromo-1,2-dimethylbenzimidazole
CID 58109509
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115130198
2-[4-(1,2-dimethylbenzimidazol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 116966293
2-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]acetonitrile
CID 115130903
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole
CID 138482837
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
CID 126726519
3-(1,6-dimethylbenzimidazol-2-yl)propanenitrile
CID 166647798
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile?
The IUPAC name of 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile (CID 84769737) is 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile?
The canonical SMILES for 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile is Cc1nc2ccc(CC#N)cc2n1C.
What is the InChIKey of 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile?
The InChIKey is RGTYKDSKBDNPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-13-10-4-3-9(5-6-12)7-11(10)14(8)2/h3-4,7H,5H2,1-2H3.
What are the key properties of 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile?
2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile is sourced from PubChem (CID 84769737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).