2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide

C24H22ClN3O — CID 17032461

IUPAC2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C24H22ClN3O/c1-16-11-12-17(2)21(13-16)27-24(29)15-28-22-10-6-5-9-20(22)26-23(28)14-18-7-3-4-8-19(18)25/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyCZXYTUWRQPSGKX-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.54
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide

2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 17032461) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID17032461
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C24H22ClN3O/c1-16-11-12-17(2)21(13-16)27-24(29)15-28-22-10-6-5-9-20(22)26-23(28)14-18-7-3-4-8-19(18)25/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyCZXYTUWRQPSGKX-UHFFFAOYSA-N
XLogP5.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide 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

N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 16995673
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032273
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
N-(4-chlorophenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032405
2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 17032346
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
CID 1153614
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17032131
2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 53045857

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide (CID 17032461) is 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is CZXYTUWRQPSGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-16-11-12-17(2)21(13-16)27-24(29)15-28-22-10-6-5-9-20(22)26-23(28)14-18-7-3-4-8-19(18)25/h3-13H,14-15H2,1-2H3,(H,27,29).
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 403.91 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 17032461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).