2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one

C16H21ClN2O — CID 83243762

IUPAC2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
SMILESCC1CCCC(N2C(=O)CNC2c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O/c1-11-4-2-7-14(8-11)19-15(20)10-18-16(19)12-5-3-6-13(17)9-12/h3,5-6,9,11,14,16,18H,2,4,7-8,10H2,1H3
InChIKeyCRJZKLKPNPPIBH-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.35
Rot. Bonds2

About 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one

2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one (PubChem CID 83243762) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
PubChem CID83243762
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
SMILESCC1CCCC(N2C(=O)CNC2c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O/c1-11-4-2-7-14(8-11)19-15(20)10-18-16(19)12-5-3-6-13(17)9-12/h3,5-6,9,11,14,16,18H,2,4,7-8,10H2,1H3
InChIKeyCRJZKLKPNPPIBH-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one (CID 83243762) is 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one is CC1CCCC(N2C(=O)CNC2c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one?
The InChIKey is CRJZKLKPNPPIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11-4-2-7-14(8-11)19-15(20)10-18-16(19)12-5-3-6-13(17)9-12/h3,5-6,9,11,14,16,18H,2,4,7-8,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one?
2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one has a molecular weight of 292.81 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one is sourced from PubChem (CID 83243762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).