2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C25H24ClN3O — CID 16979272

IUPAC2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCc1ccc(Cn2c(CCNC(=O)Cc3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O/c1-18-10-12-19(13-11-18)17-29-23-9-5-4-8-22(23)28-24(29)14-15-27-25(30)16-20-6-2-3-7-21(20)26/h2-13H,14-17H2,1H3,(H,27,30)
InChIKeyKOBBSRIBIORGBR-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.95
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979272) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16979272
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCc1ccc(Cn2c(CCNC(=O)Cc3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O/c1-18-10-12-19(13-11-18)17-29-23-9-5-4-8-22(23)28-24(29)14-15-27-25(30)16-20-6-2-3-7-21(20)26/h2-13H,14-17H2,1H3,(H,27,30)
InChIKeyKOBBSRIBIORGBR-UHFFFAOYSA-N
XLogP4.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979261
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993675
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979744
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide
CID 16979232
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3160753
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
2-(2-chlorophenyl)-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16979371

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979272) is 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is Cc1ccc(Cn2c(CCNC(=O)Cc3ccccc3Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is KOBBSRIBIORGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-18-10-12-19(13-11-18)17-29-23-9-5-4-8-22(23)28-24(29)14-15-27-25(30)16-20-6-2-3-7-21(20)26/h2-13H,14-17H2,1H3,(H,27,30).
What are the key properties of 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 417.94 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).