2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one

C17H25FN2O — CID 83245389

IUPAC2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(c2ccccc2F)N(CC(C)C)C1=O
InChIInChI=1S/C17H25FN2O/c1-11(2)9-15-17(21)20(10-12(3)4)16(19-15)13-7-5-6-8-14(13)18/h5-8,11-12,15-16,19H,9-10H2,1-4H3
InChIKeyDZHUVQMTKURKLS-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.33
Rot. Bonds5

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

2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one (PubChem CID 83245389) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one
PubChem CID83245389
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(c2ccccc2F)N(CC(C)C)C1=O
InChIInChI=1S/C17H25FN2O/c1-11(2)9-15-17(21)20(10-12(3)4)16(19-15)13-7-5-6-8-14(13)18/h5-8,11-12,15-16,19H,9-10H2,1-4H3
InChIKeyDZHUVQMTKURKLS-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one (CID 83245389) is 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(c2ccccc2F)N(CC(C)C)C1=O.
What is the InChIKey of 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one?
The InChIKey is DZHUVQMTKURKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-11(2)9-15-17(21)20(10-12(3)4)16(19-15)13-7-5-6-8-14(13)18/h5-8,11-12,15-16,19H,9-10H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one?
2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83245389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).