3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one

C16H22N2O — CID 83242271

IUPAC3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCCCC2)c1
InChIInChI=1S/C16H22N2O/c1-12-6-5-7-13(10-12)16-17-11-15(19)18(16)14-8-3-2-4-9-14/h5-7,10,14,16-17H,2-4,8-9,11H2,1H3
InChIKeyNVIIFZKZLFRSTP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.76
Rot. Bonds2

About 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one

3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one (PubChem CID 83242271) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
PubChem CID83242271
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCCCC2)c1
InChIInChI=1S/C16H22N2O/c1-12-6-5-7-13(10-12)16-17-11-15(19)18(16)14-8-3-2-4-9-14/h5-7,10,14,16-17H,2-4,8-9,11H2,1H3
InChIKeyNVIIFZKZLFRSTP-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one (CID 83242271) is 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one is Cc1cccc(C2NCC(=O)N2C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one?
The InChIKey is NVIIFZKZLFRSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-6-5-7-13(10-12)16-17-11-15(19)18(16)14-8-3-2-4-9-14/h5-7,10,14,16-17H,2-4,8-9,11H2,1H3.
What are the key properties of 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one?
3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one has a molecular weight of 258.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83242271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).