3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one

C17H23FN2O — CID 83247767

IUPAC3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(c2cccc(F)c2)N(CC2CC2)C1=O
InChIInChI=1S/C17H23FN2O/c1-11(2)8-15-17(21)20(10-12-6-7-12)16(19-15)13-4-3-5-14(18)9-13/h3-5,9,11-12,15-16,19H,6-8,10H2,1-2H3
InChIKeyWCAIBECCIJOQGL-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.08
Rot. Bonds5

About 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one

3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83247767) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83247767
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(c2cccc(F)c2)N(CC2CC2)C1=O
InChIInChI=1S/C17H23FN2O/c1-11(2)8-15-17(21)20(10-12-6-7-12)16(19-15)13-4-3-5-14(18)9-13/h3-5,9,11-12,15-16,19H,6-8,10H2,1-2H3
InChIKeyWCAIBECCIJOQGL-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one (CID 83247767) is 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(c2cccc(F)c2)N(CC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is WCAIBECCIJOQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11(2)8-15-17(21)20(10-12-6-7-12)16(19-15)13-4-3-5-14(18)9-13/h3-5,9,11-12,15-16,19H,6-8,10H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one?
3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 290.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(3-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83247767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).