2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile

C11H11N3 — CID 84618582

IUPAC2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile
SMILESCCc1cccc2[nH]c(CC#N)nc12
InChIInChI=1S/C11H11N3/c1-2-8-4-3-5-9-11(8)14-10(13-9)6-7-12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyWKMZKUTULKBRJF-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.19
Rot. Bonds2

About 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile

2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile (PubChem CID 84618582) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile
PubChem CID84618582
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile
SMILESCCc1cccc2[nH]c(CC#N)nc12
InChIInChI=1S/C11H11N3/c1-2-8-4-3-5-9-11(8)14-10(13-9)6-7-12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyWKMZKUTULKBRJF-UHFFFAOYSA-N
XLogP2.19
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethyl-1H-benzimidazol-2-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-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile (CID 84618582) is 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile is CCc1cccc2[nH]c(CC#N)nc12.
What is the InChIKey of 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile?
The InChIKey is WKMZKUTULKBRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-8-4-3-5-9-11(8)14-10(13-9)6-7-12/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile?
2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 84618582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).