N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide

C23H19N3O2 — CID 40723784

IUPACN-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-15(27)17-7-6-8-19(13-17)25-23(28)18-11-12-22-21(14-18)24-16(2)26(22)20-9-4-3-5-10-20/h3-14H,1-2H3,(H,25,28)
InChIKeyHKLHPOSECZOARV-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.79
Rot. Bonds4

About N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide

N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide (PubChem CID 40723784) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
PubChem CID40723784
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-15(27)17-7-6-8-19(13-17)25-23(28)18-11-12-22-21(14-18)24-16(2)26(22)20-9-4-3-5-10-20/h3-14H,1-2H3,(H,25,28)
InChIKeyHKLHPOSECZOARV-UHFFFAOYSA-N
XLogP4.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
CID 60578647
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
CID 38465374
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878
2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylbenzimidazole-5-carboxamide
CID 40718348
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide (CID 40723784) is N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is HKLHPOSECZOARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15(27)17-7-6-8-19(13-17)25-23(28)18-11-12-22-21(14-18)24-16(2)26(22)20-9-4-3-5-10-20/h3-14H,1-2H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide?
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 40723784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).