N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide

C21H23N3O — CID 3658169

IUPACN-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C21H23N3O/c1-23(14-16-7-3-2-4-8-16)21(25)17-11-12-20-19(13-17)22-15-24(20)18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3
InChIKeyYGJCPDMBSMZBPD-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.42
Rot. Bonds4

About N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide

N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide (PubChem CID 3658169) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
PubChem CID3658169
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C21H23N3O/c1-23(14-16-7-3-2-4-8-16)21(25)17-11-12-20-19(13-17)22-15-24(20)18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3
InChIKeyYGJCPDMBSMZBPD-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703
N-benzyl-N-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175646445
N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
CID 110766019
3-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176504133
1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
CID 4583884
2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium
CID 4581778
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide
CID 5113632
3-cyclopropyl-N-(furan-3-ylmethyl)-N-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 175645381
3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
CID 68611173
3-cyclopentyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175643815

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide (CID 3658169) is N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2c(c1)ncn2C1CCCC1.
What is the InChIKey of N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide?
The InChIKey is YGJCPDMBSMZBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23(14-16-7-3-2-4-8-16)21(25)17-11-12-20-19(13-17)22-15-24(20)18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3.
What are the key properties of N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide?
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3658169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).