4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile

C17H13Cl2N3 — CID 39158119

IUPAC4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile
SMILESCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C#N)cc1
InChIInChI=1S/C17H13Cl2N3/c1-2-17-21-15-7-13(18)14(19)8-16(15)22(17)10-12-5-3-11(9-20)4-6-12/h3-8H,2,10H2,1H3
InChIKeySMMTVRPWOBOBHO-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.83
Rot. Bonds3

About 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile

4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile (PubChem CID 39158119) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile
PubChem CID39158119
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC Name4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile
SMILESCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C#N)cc1
InChIInChI=1S/C17H13Cl2N3/c1-2-17-21-15-7-13(18)14(19)8-16(15)22(17)10-12-5-3-11(9-20)4-6-12/h3-8H,2,10H2,1H3
InChIKeySMMTVRPWOBOBHO-UHFFFAOYSA-N
XLogP4.83
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile 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

4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzonitrile
CID 39158183
4-[(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158131
4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82333781
4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82149266
3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145975
4-[(2-tert-butyl-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
CID 82149265
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104715292
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
1-chloro-2-ethylbenzimidazole-5-carbonitrile
CID 141051765
4-[(2-chloro-6-ethoxybenzimidazol-1-yl)methyl]benzonitrile
CID 155143110
3-[4-(5,6-dichloro-2-ethylbenzimidazol-1-yl)phenyl]-2-methylpropanenitrile
CID 141052723
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile (CID 39158119) is 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile is CCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile?
The InChIKey is SMMTVRPWOBOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c1-2-17-21-15-7-13(18)14(19)8-16(15)22(17)10-12-5-3-11(9-20)4-6-12/h3-8H,2,10H2,1H3.
What are the key properties of 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile?
4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile has a molecular weight of 330.22 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 39158119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).