2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide

C26H24ClN3O — CID 16973036

IUPAC2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C26H24ClN3O/c1-19(28-25(31)18-21-13-15-22(27)16-14-21)26-29-23-11-5-6-12-24(23)30(26)17-7-10-20-8-3-2-4-9-20/h2-16,19H,17-18H2,1H3,(H,28,31)/b10-7+
InChIKeySWCMNRUVPFXNBP-JXMROGBWSA-N
MW429.95 g/mol
LogP5.82
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide

2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16973036) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16973036
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC Name2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C26H24ClN3O/c1-19(28-25(31)18-21-13-15-22(27)16-14-21)26-29-23-11-5-6-12-24(23)30(26)17-7-10-20-8-3-2-4-9-20/h2-16,19H,17-18H2,1H3,(H,28,31)/b10-7+
InChIKeySWCMNRUVPFXNBP-JXMROGBWSA-N
XLogP5.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969986
2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972996
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
2-(4-chlorophenyl)-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973092
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972817
2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973009
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
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009818
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide (CID 16973036) is 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide is CC(NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2n1C/C=C/c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is SWCMNRUVPFXNBP-JXMROGBWSA-N. The full InChI is InChI=1S/C26H24ClN3O/c1-19(28-25(31)18-21-13-15-22(27)16-14-21)26-29-23-11-5-6-12-24(23)30(26)17-7-10-20-8-3-2-4-9-20/h2-16,19H,17-18H2,1H3,(H,28,31)/b10-7+.
What are the key properties of 2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 429.95 g/mol, XLogP of 5.82, 7 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-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16973036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).