3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

C13H15FN2O — CID 83242288

IUPAC3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(C2CC2)C1=O
InChIInChI=1S/C13H15FN2O/c1-8-13(17)16(11-5-6-11)12(15-8)9-3-2-4-10(14)7-9/h2-4,7-8,11-12,15H,5-6H2,1H3
InChIKeyPLQDJDPNPINJOL-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.81
Rot. Bonds2

About 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83242288) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83242288
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(C2CC2)C1=O
InChIInChI=1S/C13H15FN2O/c1-8-13(17)16(11-5-6-11)12(15-8)9-3-2-4-10(14)7-9/h2-4,7-8,11-12,15H,5-6H2,1H3
InChIKeyPLQDJDPNPINJOL-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (CID 83242288) is 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is CC1NC(c2cccc(F)c2)N(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is PLQDJDPNPINJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-13(17)16(11-5-6-11)12(15-8)9-3-2-4-10(14)7-9/h2-4,7-8,11-12,15H,5-6H2,1H3.
What are the key properties of 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 234.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83242288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).