3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione

C15H18FN2O2P — CID 145475186

IUPAC3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cc(F)cc(P)c2)NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H18FN2O2P/c1-15(9-6-10(16)8-12(21)7-9)13(19)18(14(20)17-15)11-4-2-3-5-11/h6-8,11H,2-5,21H2,1H3,(H,17,20)
InChIKeyJKMJGCAPWLYXLI-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.04
Rot. Bonds2

About 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione

3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 145475186) has the molecular formula C15H18FN2O2P and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID145475186
Molecular FormulaC15H18FN2O2P
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cc(F)cc(P)c2)NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H18FN2O2P/c1-15(9-6-10(16)8-12(21)7-9)13(19)18(14(20)17-15)11-4-2-3-5-11/h6-8,11H,2-5,21H2,1H3,(H,17,20)
InChIKeyJKMJGCAPWLYXLI-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione (CID 145475186) is 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione is CC1(c2cc(F)cc(P)c2)NC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is JKMJGCAPWLYXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN2O2P/c1-15(9-6-10(16)8-12(21)7-9)13(19)18(14(20)17-15)11-4-2-3-5-11/h6-8,11H,2-5,21H2,1H3,(H,17,20).
What are the key properties of 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione?
3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 308.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(3-fluoro-5-phosphanylphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 145475186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).