3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one

C17H24N2O — CID 83270874

IUPAC3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one
SMILESCC1(C)CCCC(N2C(=O)CNC2c2ccccc2)C1
InChIInChI=1S/C17H24N2O/c1-17(2)10-6-9-14(11-17)19-15(20)12-18-16(19)13-7-4-3-5-8-13/h3-5,7-8,14,16,18H,6,9-12H2,1-2H3
InChIKeyAAPZMWRXIRAQHA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.09
Rot. Bonds2

About 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one

3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one (PubChem CID 83270874) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one
PubChem CID83270874
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one
SMILESCC1(C)CCCC(N2C(=O)CNC2c2ccccc2)C1
InChIInChI=1S/C17H24N2O/c1-17(2)10-6-9-14(11-17)19-15(20)12-18-16(19)13-7-4-3-5-8-13/h3-5,7-8,14,16,18H,6,9-12H2,1-2H3
InChIKeyAAPZMWRXIRAQHA-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83239821
3-(2,2-dimethylcyclopentyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83270186
3-cyclohexyl-2-(3-fluorophenyl)imidazolidin-4-one
CID 83243222
2-phenyl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83253513
3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242271
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83269852
3-cycloheptyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83246732
3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83242702
3-cyclopentyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83242750
3-cyclopentyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83243092
2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83244270

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one (CID 83270874) is 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one is CC1(C)CCCC(N2C(=O)CNC2c2ccccc2)C1.
What is the InChIKey of 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one?
The InChIKey is AAPZMWRXIRAQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2)10-6-9-14(11-17)19-15(20)12-18-16(19)13-7-4-3-5-8-13/h3-5,7-8,14,16,18H,6,9-12H2,1-2H3.
What are the key properties of 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one?
3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83270874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).