4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one

C10H10FN3O — CID 138388366

IUPAC4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc(F)c(C)c1
InChIInChI=1S/C10H10FN3O/c1-5-4-6(2-3-7(5)11)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyMSJHPEZDWXUHKP-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.47
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one

4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one (PubChem CID 138388366) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one
PubChem CID138388366
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc(F)c(C)c1
InChIInChI=1S/C10H10FN3O/c1-5-4-6(2-3-7(5)11)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyMSJHPEZDWXUHKP-UHFFFAOYSA-N
XLogP1.47
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one (CID 138388366) is 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)NC1c1ccc(F)c(C)c1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one?
The InChIKey is MSJHPEZDWXUHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-5-4-6(2-3-7(5)11)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one?
4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one has a molecular weight of 207.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one is sourced from PubChem (CID 138388366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).