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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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).