2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one

C17H23ClN2O — CID 83249338

IUPAC2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
SMILESCC1CCC(CN2C(=O)CNC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O/c1-12-2-4-13(5-3-12)11-20-16(21)10-19-17(20)14-6-8-15(18)9-7-14/h6-9,12-13,17,19H,2-5,10-11H2,1H3
InChIKeyHTHXXXVLVHIYLV-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one

2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one (PubChem CID 83249338) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
PubChem CID83249338
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
SMILESCC1CCC(CN2C(=O)CNC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O/c1-12-2-4-13(5-3-12)11-20-16(21)10-19-17(20)14-6-8-15(18)9-7-14/h6-9,12-13,17,19H,2-5,10-11H2,1H3
InChIKeyHTHXXXVLVHIYLV-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one (CID 83249338) is 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one is CC1CCC(CN2C(=O)CNC2c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one?
The InChIKey is HTHXXXVLVHIYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-12-2-4-13(5-3-12)11-20-16(21)10-19-17(20)14-6-8-15(18)9-7-14/h6-9,12-13,17,19H,2-5,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one?
2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one has a molecular weight of 306.84 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83249338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).