6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile

C10H8ClN3 — CID 112756970

IUPAC6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile
SMILESCCc1nc2cc(C#N)c(Cl)cc2[nH]1
InChIInChI=1S/C10H8ClN3/c1-2-10-13-8-3-6(5-12)7(11)4-9(8)14-10/h3-4H,2H2,1H3,(H,13,14)
InChIKeyZHWIAEGDSWOKMP-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.65
Rot. Bonds1

About 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile

6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile (PubChem CID 112756970) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile
PubChem CID112756970
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile
SMILESCCc1nc2cc(C#N)c(Cl)cc2[nH]1
InChIInChI=1S/C10H8ClN3/c1-2-10-13-8-3-6(5-12)7(11)4-9(8)14-10/h3-4H,2H2,1H3,(H,13,14)
InChIKeyZHWIAEGDSWOKMP-UHFFFAOYSA-N
XLogP2.65
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-ethyl-1H-benzimidazole-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

2,6-dichloro-1H-benzimidazole-5-carbonitrile
CID 130051786
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
5,6-dichloro-2-(3-ethoxypropyl)-1H-benzimidazole
CID 82003888
5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole
CID 130854781
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
6-chloro-2-methyl-1,3-benzothiazole-5-carbonitrile
CID 130063324
2,5-dichloro-6-ethylpyridine-3-carbonitrile
CID 14211647
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile
CID 84816265

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile?
The IUPAC name of 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile (CID 112756970) is 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile?
The canonical SMILES for 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile is CCc1nc2cc(C#N)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile?
The InChIKey is ZHWIAEGDSWOKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-2-10-13-8-3-6(5-12)7(11)4-9(8)14-10/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile?
6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile has a molecular weight of 205.65 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 112756970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).