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

C16H21FN2O — CID 83244270

IUPAC2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
SMILESCC1CCCC(N2C(=O)CNC2c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O/c1-11-3-2-4-14(9-11)19-15(20)10-18-16(19)12-5-7-13(17)8-6-12/h5-8,11,14,16,18H,2-4,9-10H2,1H3
InChIKeyDIFMKVFESPVTSF-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.83
Rot. Bonds2

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

2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one (PubChem CID 83244270) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
PubChem CID83244270
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
SMILESCC1CCCC(N2C(=O)CNC2c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O/c1-11-3-2-4-14(9-11)19-15(20)10-18-16(19)12-5-7-13(17)8-6-12/h5-8,11,14,16,18H,2-4,9-10H2,1H3
InChIKeyDIFMKVFESPVTSF-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one (CID 83244270) is 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one is CC1CCCC(N2C(=O)CNC2c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one?
The InChIKey is DIFMKVFESPVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-11-3-2-4-14(9-11)19-15(20)10-18-16(19)12-5-7-13(17)8-6-12/h5-8,11,14,16,18H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one?
2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one has a molecular weight of 276.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one is sourced from PubChem (CID 83244270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).