N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide

C25H23N3O2 — CID 17031751

IUPACN-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H23N3O2/c1-2-30-21-15-13-20(14-16-21)26-25(29)18-28-23-11-7-6-10-22(23)27-24(28)17-12-19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,26,29)/b17-12+
InChIKeyCIDVPJCXCLNJIW-SFQUDFHCSA-N
MW397.48 g/mol
LogP5.24
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide (PubChem CID 17031751) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
PubChem CID17031751
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H23N3O2/c1-2-30-21-15-13-20(14-16-21)26-25(29)18-28-23-11-7-6-10-22(23)27-24(28)17-12-19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,26,29)/b17-12+
InChIKeyCIDVPJCXCLNJIW-SFQUDFHCSA-N
XLogP5.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 5084870
3-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129317
N-(4-ethoxyphenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032408
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17031747
N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031753
N-cyclopentyl-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 71899062
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide (CID 17031751) is N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The InChIKey is CIDVPJCXCLNJIW-SFQUDFHCSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-30-21-15-13-20(14-16-21)26-25(29)18-28-23-11-7-6-10-22(23)27-24(28)17-12-19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,26,29)/b17-12+.
What are the key properties of N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17031751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).