N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide

C24H21N3O — CID 5084870

IUPACN-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2c(C=Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C24H21N3O/c1-18-8-7-11-20(16-18)25-24(28)17-27-22-13-6-5-12-21(22)26-23(27)15-14-19-9-3-2-4-10-19/h2-16H,17H2,1H3,(H,25,28)
InChIKeyZHSIQGCZRNVATM-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.15
Rot. Bonds5

About N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide

N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide (PubChem CID 5084870) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
PubChem CID5084870
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2c(C=Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C24H21N3O/c1-18-8-7-11-20(16-18)25-24(28)17-27-22-13-6-5-12-21(22)26-23(27)15-14-19-9-3-2-4-10-19/h2-16H,17H2,1H3,(H,25,28)
InChIKeyZHSIQGCZRNVATM-UHFFFAOYSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031751
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
N-cyclopropyl-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031733
N-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53097764
N-cyclopentyl-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 71899062
2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029838
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031451
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide (CID 5084870) is N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide is Cc1cccc(NC(=O)Cn2c(C=Cc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide?
The InChIKey is ZHSIQGCZRNVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18-8-7-11-20(16-18)25-24(28)17-27-22-13-6-5-12-21(22)26-23(27)15-14-19-9-3-2-4-10-19/h2-16H,17H2,1H3,(H,25,28).
What are the key properties of N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide?
N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 5084870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).