1-chloro-2-ethylbenzimidazole-5-carbonitrile

C10H8ClN3 — CID 141051765

IUPAC1-chloro-2-ethylbenzimidazole-5-carbonitrile
SMILESCCc1nc2cc(C#N)ccc2n1Cl
InChIInChI=1S/C10H8ClN3/c1-2-10-13-8-5-7(6-12)3-4-9(8)14(10)11/h3-5H,2H2,1H3
InChIKeyYRZGXCWHJKDQEN-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.47
Rot. Bonds1

About 1-chloro-2-ethylbenzimidazole-5-carbonitrile

1-chloro-2-ethylbenzimidazole-5-carbonitrile (PubChem CID 141051765) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 1-chloro-2-ethylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-chloro-2-ethylbenzimidazole-5-carbonitrile
PubChem CID141051765
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name1-chloro-2-ethylbenzimidazole-5-carbonitrile
SMILESCCc1nc2cc(C#N)ccc2n1Cl
InChIInChI=1S/C10H8ClN3/c1-2-10-13-8-5-7(6-12)3-4-9(8)14(10)11/h3-5H,2H2,1H3
InChIKeyYRZGXCWHJKDQEN-UHFFFAOYSA-N
XLogP2.47
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-2-ethylbenzimidazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-butyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040583
4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158119
1,2-bis(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040568
1-methyl-2-(2,2,2-trifluoroethyl)benzimidazole-5-carbonitrile
CID 65035685
1-methyl-2-(2-propoxyethyl)benzimidazole-5-carbonitrile
CID 65035097
2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 68764810
2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040254
2-(2-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715267
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
CID 84621917
2-(propoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 107941810
4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82333781
2-hexyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 114754151

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylbenzimidazole-5-carbonitrile?
The IUPAC name of 1-chloro-2-ethylbenzimidazole-5-carbonitrile (CID 141051765) is 1-chloro-2-ethylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 1-chloro-2-ethylbenzimidazole-5-carbonitrile?
The canonical SMILES for 1-chloro-2-ethylbenzimidazole-5-carbonitrile is CCc1nc2cc(C#N)ccc2n1Cl.
What is the InChIKey of 1-chloro-2-ethylbenzimidazole-5-carbonitrile?
The InChIKey is YRZGXCWHJKDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-2-10-13-8-5-7(6-12)3-4-9(8)14(10)11/h3-5H,2H2,1H3.
What are the key properties of 1-chloro-2-ethylbenzimidazole-5-carbonitrile?
1-chloro-2-ethylbenzimidazole-5-carbonitrile has a molecular weight of 205.65 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 141051765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).