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

C16H22N2O2 — CID 83239655

IUPAC3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1C1CCC(O)CC1
InChIInChI=1S/C16H22N2O2/c1-11-4-2-3-5-14(11)16-17-10-15(20)18(16)12-6-8-13(19)9-7-12/h2-5,12-13,16-17,19H,6-10H2,1H3
InChIKeyBJPZHVWPGYTYTP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.73
Rot. Bonds2

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

3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one (PubChem CID 83239655) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one
PubChem CID83239655
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1C1CCC(O)CC1
InChIInChI=1S/C16H22N2O2/c1-11-4-2-3-5-14(11)16-17-10-15(20)18(16)12-6-8-13(19)9-7-12/h2-5,12-13,16-17,19H,6-10H2,1H3
InChIKeyBJPZHVWPGYTYTP-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one (CID 83239655) is 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one is Cc1ccccc1C1NCC(=O)N1C1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one?
The InChIKey is BJPZHVWPGYTYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-4-2-3-5-14(11)16-17-10-15(20)18(16)12-6-8-13(19)9-7-12/h2-5,12-13,16-17,19H,6-10H2,1H3.
What are the key properties of 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one?
3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one has a molecular weight of 274.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-2-(2-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83239655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).