2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile

C15H9Cl2N3 — CID 104720958

IUPAC2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2cc(Cl)cc(Cl)c2)nc2c(C#N)cccc21
InChIInChI=1S/C15H9Cl2N3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3
InChIKeyWUDRIPQGDHESTH-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.42
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile

2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile (PubChem CID 104720958) has the molecular formula C15H9Cl2N3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
PubChem CID104720958
Molecular FormulaC15H9Cl2N3
Molecular Weight302.16 g/mol
Exact Mass301.02
IUPAC Name2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2cc(Cl)cc(Cl)c2)nc2c(C#N)cccc21
InChIInChI=1S/C15H9Cl2N3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3
InChIKeyWUDRIPQGDHESTH-UHFFFAOYSA-N
XLogP4.42
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-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-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
2-[3-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720712
2-(3-bromo-4-methylphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720927
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
2-(4-fluoro-3-methoxyphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720761
1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
CID 104720742
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 107941821
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
CID 104720919

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile (CID 104720958) is 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile is Cn1c(-c2cc(Cl)cc(Cl)c2)nc2c(C#N)cccc21.
What is the InChIKey of 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is WUDRIPQGDHESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)10-5-11(16)7-12(17)6-10/h2-7H,1H3.
What are the key properties of 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile?
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile has a molecular weight of 302.16 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 104720958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).