2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile

C13H15N3 — CID 39157826

IUPAC2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
SMILESCCc1nc2cc(C)c(C)cc2n1CC#N
InChIInChI=1S/C13H15N3/c1-4-13-15-11-7-9(2)10(3)8-12(11)16(13)6-5-14/h7-8H,4,6H2,1-3H3
InChIKeyUOYGMGUTTJCBGN-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile

2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile (PubChem CID 39157826) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
PubChem CID39157826
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
SMILESCCc1nc2cc(C)c(C)cc2n1CC#N
InChIInChI=1S/C13H15N3/c1-4-13-15-11-7-9(2)10(3)8-12(11)16(13)6-5-14/h7-8H,4,6H2,1-3H3
InChIKeyUOYGMGUTTJCBGN-UHFFFAOYSA-N
XLogP2.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile?
The IUPAC name of 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile (CID 39157826) is 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile?
The canonical SMILES for 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile is CCc1nc2cc(C)c(C)cc2n1CC#N.
What is the InChIKey of 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile?
The InChIKey is UOYGMGUTTJCBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-4-13-15-11-7-9(2)10(3)8-12(11)16(13)6-5-14/h7-8H,4,6H2,1-3H3.
What are the key properties of 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile?
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile is sourced from PubChem (CID 39157826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).