N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

C25H24ClN3O3S — CID 60600055

IUPACN-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H24ClN3O3S/c1-33(31,32)17-24-27-21-13-7-8-14-23(21)29(24)16-25(30)28-22(18-9-3-2-4-10-18)15-19-11-5-6-12-20(19)26/h2-14,22H,15-17H2,1H3,(H,28,30)
InChIKeyLILOPRZPQJOENQ-UHFFFAOYSA-N
MW482.01 g/mol
LogP4.33
Rot. Bonds8

About N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 60600055) has the molecular formula C25H24ClN3O3S and a molecular weight of 482.01 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
PubChem CID60600055
Molecular FormulaC25H24ClN3O3S
Molecular Weight482.01 g/mol
Exact Mass481.12
IUPAC NameN-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H24ClN3O3S/c1-33(31,32)17-24-27-21-13-7-8-14-23(21)29(24)16-25(30)28-22(18-9-3-2-4-10-18)15-19-11-5-6-12-20(19)26/h2-14,22H,15-17H2,1H3,(H,28,30)
InChIKeyLILOPRZPQJOENQ-UHFFFAOYSA-N
XLogP4.33
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34392337
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 25341834
N-(2-amino-1-cyclohexylethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119591544
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
N-(3-methyl-1-phenylbutyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55439114
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 35747603
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30889458
N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (CID 60600055) is N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC(Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is LILOPRZPQJOENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3S/c1-33(31,32)17-24-27-21-13-7-8-14-23(21)29(24)16-25(30)28-22(18-9-3-2-4-10-18)15-19-11-5-6-12-20(19)26/h2-14,22H,15-17H2,1H3,(H,28,30).
What are the key properties of N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 482.01 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 60600055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).