6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one

C16H24N2O — CID 147951547

IUPAC6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one
SMILESCC1CCC(n2cnc3c2C(=O)CC(C)(C)C3)CC1
InChIInChI=1S/C16H24N2O/c1-11-4-6-12(7-5-11)18-10-17-13-8-16(2,3)9-14(19)15(13)18/h10-12H,4-9H2,1-3H3
InChIKeyINSCDWVUZVYGNW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.79
Rot. Bonds1

About 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one

6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one (PubChem CID 147951547) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one
PubChem CID147951547
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one
SMILESCC1CCC(n2cnc3c2C(=O)CC(C)(C)C3)CC1
InChIInChI=1S/C16H24N2O/c1-11-4-6-12(7-5-11)18-10-17-13-8-16(2,3)9-14(19)15(13)18/h10-12H,4-9H2,1-3H3
InChIKeyINSCDWVUZVYGNW-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one?
The IUPAC name of 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one (CID 147951547) is 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one?
The canonical SMILES for 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one is CC1CCC(n2cnc3c2C(=O)CC(C)(C)C3)CC1.
What is the InChIKey of 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one?
The InChIKey is INSCDWVUZVYGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-6-12(7-5-11)18-10-17-13-8-16(2,3)9-14(19)15(13)18/h10-12H,4-9H2,1-3H3.
What are the key properties of 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one?
6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one has a molecular weight of 260.38 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one is sourced from PubChem (CID 147951547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).