3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one

C17H24N2O — CID 83262843

IUPAC3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
SMILESCC1CCC(N2CNC(c3ccccc3)C2=O)CC1C
InChIInChI=1S/C17H24N2O/c1-12-8-9-15(10-13(12)2)19-11-18-16(17(19)20)14-6-4-3-5-7-14/h3-7,12-13,15-16,18H,8-11H2,1-2H3
InChIKeyBMWCFFVLNFNEKD-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.94
Rot. Bonds2

About 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one

3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one (PubChem CID 83262843) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
PubChem CID83262843
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
SMILESCC1CCC(N2CNC(c3ccccc3)C2=O)CC1C
InChIInChI=1S/C17H24N2O/c1-12-8-9-15(10-13(12)2)19-11-18-16(17(19)20)14-6-4-3-5-7-14/h3-7,12-13,15-16,18H,8-11H2,1-2H3
InChIKeyBMWCFFVLNFNEKD-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one
CID 83263637
3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
CID 83264832
3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one
CID 83243785
3-(4,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83264000
3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one
CID 114552517
3-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83262674
3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one
CID 113464305
1-(3,4-dimethylcyclohexyl)imidazolidin-2-one
CID 115370706
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
3-(cyclobutylmethyl)-5-phenylimidazolidin-4-one
CID 83244563
3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one
CID 83258403
1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione
CID 114551374

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one (CID 83262843) is 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one is CC1CCC(N2CNC(c3ccccc3)C2=O)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one?
The InChIKey is BMWCFFVLNFNEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-8-9-15(10-13(12)2)19-11-18-16(17(19)20)14-6-4-3-5-7-14/h3-7,12-13,15-16,18H,8-11H2,1-2H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one?
3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83262843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).