N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C23H27N3O2 — CID 32590164

IUPACN-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)N(Cc2ccc(C)cc2)C2CC2)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-3-14-24-20-6-4-5-7-21(20)26(23(24)28)16-22(27)25(19-12-13-19)15-18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3
InChIKeyRNJPYBICDOXMRU-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.71
Rot. Bonds7

About N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 32590164) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID32590164
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)N(Cc2ccc(C)cc2)C2CC2)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-3-14-24-20-6-4-5-7-21(20)26(23(24)28)16-22(27)25(19-12-13-19)15-18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3
InChIKeyRNJPYBICDOXMRU-UHFFFAOYSA-N
XLogP3.71
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24524450
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
CID 104751301
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide
CID 120762269
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 94175663
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 120762268
(3S,4S)-1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120849
N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 91831351
N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738200
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 17464561
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55507951
N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride
CID 23512950
1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-ethylpiperidine-4-carboxamide
CID 87016268

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 32590164) is N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)N(Cc2ccc(C)cc2)C2CC2)c2ccccc21.
What is the InChIKey of N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is RNJPYBICDOXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-14-24-20-6-4-5-7-21(20)26(23(24)28)16-22(27)25(19-12-13-19)15-18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 32590164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).