2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole

C15H13ClN2 — CID 168554186

IUPAC2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
SMILESCc1cc(-c2nc3ccccc3[nH]2)c(C)cc1Cl
InChIInChI=1S/C15H13ClN2/c1-9-8-12(16)10(2)7-11(9)15-17-13-5-3-4-6-14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyRNAMATIWUIJJKI-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.50
Rot. Bonds1

About 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole

2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole (PubChem CID 168554186) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
PubChem CID168554186
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
SMILESCc1cc(-c2nc3ccccc3[nH]2)c(C)cc1Cl
InChIInChI=1S/C15H13ClN2/c1-9-8-12(16)10(2)7-11(9)15-17-13-5-3-4-6-14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyRNAMATIWUIJJKI-UHFFFAOYSA-N
XLogP4.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole 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-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
3-(1H-benzimidazol-2-yl)-2-chloro-8-methylquinoline
CID 139075966
4-(1H-benzimidazol-2-yl)-2-chloro-6-methylaniline
CID 139992920
4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
CID 168555503
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
CID 168554266
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
CID 168554061

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole (CID 168554186) is 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole is Cc1cc(-c2nc3ccccc3[nH]2)c(C)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole?
The InChIKey is RNAMATIWUIJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-9-8-12(16)10(2)7-11(9)15-17-13-5-3-4-6-14(13)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole?
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole has a molecular weight of 256.74 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole is sourced from PubChem (CID 168554186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).