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

C25H24ClN3O — CID 16973009

IUPAC2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C25H24ClN3O/c1-17(27-24(30)16-19-12-14-21(26)15-13-19)25-28-22-10-6-7-11-23(22)29(25)18(2)20-8-4-3-5-9-20/h3-15,17-18H,16H2,1-2H3,(H,27,30)
InChIKeyVZNNYJAQFWQJBO-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.72
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16973009) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16973009
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C25H24ClN3O/c1-17(27-24(30)16-19-12-14-21(26)15-13-19)25-28-22-10-6-7-11-23(22)29(25)18(2)20-8-4-3-5-9-20/h3-15,17-18H,16H2,1-2H3,(H,27,30)
InChIKeyVZNNYJAQFWQJBO-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972996
2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
CID 16998925
2-(4-chlorophenyl)-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973092
2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973036
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]acetamide
CID 24608823
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972817
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536
N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide (CID 16973009) is 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide is CC(NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2n1C(C)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is VZNNYJAQFWQJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-17(27-24(30)16-19-12-14-21(26)15-13-19)25-28-22-10-6-7-11-23(22)29(25)18(2)20-8-4-3-5-9-20/h3-15,17-18H,16H2,1-2H3,(H,27,30).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 417.94 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16973009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).