N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C24H23N3O — CID 4754926

IUPACN-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(Cn2c(C(C)NC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3O/c1-17-12-14-19(15-13-17)16-27-22-11-7-6-10-21(22)26-23(27)18(2)25-24(28)20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,25,28)
InChIKeyREDMOHMXLCKZIB-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.88
Rot. Bonds5

About N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 4754926) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID4754926
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(Cn2c(C(C)NC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3O/c1-17-12-14-19(15-13-17)16-27-22-11-7-6-10-21(22)26-23(27)18(2)25-24(28)20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,25,28)
InChIKeyREDMOHMXLCKZIB-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
AG-14361
CID 9840076
Takinib
CID 37750349
2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(2-methylphenyl)acetamide
CID 56832449
tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-({4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}amido)pyrrolidine-1-carboxylate
CID 10163627
tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-[(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)amido]pyrrolidine-1-carboxylate
CID 10208262
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzamide
CID 10273657
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
N-(1-methylbenzimidazol-2-yl)benzamide
CID 780674
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
2-(1H-Benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
CID 2386123
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-3-nitrobenzamide
CID 719776

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 4754926) is N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(Cn2c(C(C)NC(=O)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is REDMOHMXLCKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17-12-14-19(15-13-17)16-27-22-11-7-6-10-21(22)26-23(27)18(2)25-24(28)20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 4754926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).