3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one

C17H24N2O — CID 83243599

IUPAC3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
SMILESCC1NC(c2ccccc2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C17H24N2O/c1-13-17(20)19(12-14-8-4-2-5-9-14)16(18-13)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16,18H,2,4-5,8-9,12H2,1H3
InChIKeyPPAOYACTOWBASX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.09
Rot. Bonds3

About 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one

3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one (PubChem CID 83243599) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
PubChem CID83243599
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
SMILESCC1NC(c2ccccc2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C17H24N2O/c1-13-17(20)19(12-14-8-4-2-5-9-14)16(18-13)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16,18H,2,4-5,8-9,12H2,1H3
InChIKeyPPAOYACTOWBASX-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one (CID 83243599) is 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one is CC1NC(c2ccccc2)N(CC2CCCCC2)C1=O.
What is the InChIKey of 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one?
The InChIKey is PPAOYACTOWBASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-17(20)19(12-14-8-4-2-5-9-14)16(18-13)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16,18H,2,4-5,8-9,12H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one?
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83243599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).