3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide

C19H25N3O2 — CID 143642064

IUPAC3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NC1CCCCC1)n1c(=O)n(CC2CCC2)c2ccccc21
InChIInChI=1S/C19H25N3O2/c23-18(20-15-9-2-1-3-10-15)22-17-12-5-4-11-16(17)21(19(22)24)13-14-7-6-8-14/h4-5,11-12,14-15H,1-3,6-10,13H2,(H,20,23)
InChIKeySGUZRRFCUOLSBC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.49
Rot. Bonds3

About 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide

3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide (PubChem CID 143642064) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide
PubChem CID143642064
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NC1CCCCC1)n1c(=O)n(CC2CCC2)c2ccccc21
InChIInChI=1S/C19H25N3O2/c23-18(20-15-9-2-1-3-10-15)22-17-12-5-4-11-16(17)21(19(22)24)13-14-7-6-8-14/h4-5,11-12,14-15H,1-3,6-10,13H2,(H,20,23)
InChIKeySGUZRRFCUOLSBC-UHFFFAOYSA-N
XLogP3.49
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide
CID 24956628
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(cyclobutylmethyl)-2-oxobenzimidazole-1-carboxamide
CID 24952358
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66784008
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(cyclohexylmethyl)-6-fluoro-2-oxobenzimidazole-1-carboxamide
CID 24955548
N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 46106517
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(oxan-4-ylmethyl)-2-oxobenzimidazole-1-carboxamide
CID 57435978
5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 123680725
3-(cyclohexylmethyl)-N-[(3S)-2,2-dimethyl-4-oxohexan-3-yl]-4-methyl-2-oxobenzimidazole-1-carboxamide
CID 143642103
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide
CID 57463420
N-cycloheptyl-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680359
N-cyclopentylindole-1-carboxamide
CID 141083697

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide (CID 143642064) is 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide is O=C(NC1CCCCC1)n1c(=O)n(CC2CCC2)c2ccccc21.
What is the InChIKey of 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide?
The InChIKey is SGUZRRFCUOLSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(20-15-9-2-1-3-10-15)22-17-12-5-4-11-16(17)21(19(22)24)13-14-7-6-8-14/h4-5,11-12,14-15H,1-3,6-10,13H2,(H,20,23).
What are the key properties of 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide?
3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 143642064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).