1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea

C12H13FN4O3 — CID 21400903

IUPAC1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea
SMILESCN1C(=O)C(NC(=O)Nc2ccccc2F)N(C)C1=O
InChIInChI=1S/C12H13FN4O3/c1-16-9(10(18)17(2)12(16)20)15-11(19)14-8-6-4-3-5-7(8)13/h3-6,9H,1-2H3,(H2,14,15,19)
InChIKeyYUTYXALQJWFSGK-UHFFFAOYSA-N
MW280.26 g/mol
LogP0.80
Rot. Bonds2

About 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea

1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea (PubChem CID 21400903) has the molecular formula C12H13FN4O3 and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea
PubChem CID21400903
Molecular FormulaC12H13FN4O3
Molecular Weight280.26 g/mol
Exact Mass280.10
IUPAC Name1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea
SMILESCN1C(=O)C(NC(=O)Nc2ccccc2F)N(C)C1=O
InChIInChI=1S/C12H13FN4O3/c1-16-9(10(18)17(2)12(16)20)15-11(19)14-8-6-4-3-5-7(8)13/h3-6,9H,1-2H3,(H2,14,15,19)
InChIKeyYUTYXALQJWFSGK-UHFFFAOYSA-N
XLogP0.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-3-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
CID 93113787
1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea
CID 43596595
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-fluorophenyl)propanamide
CID 11918816
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914322
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
CID 114632529
1-(2-fluorophenyl)-3-[9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3354769
3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 62947575
N-[(2-fluorophenyl)carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626817
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea (CID 21400903) is 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea is CN1C(=O)C(NC(=O)Nc2ccccc2F)N(C)C1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea?
The InChIKey is YUTYXALQJWFSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3/c1-16-9(10(18)17(2)12(16)20)15-11(19)14-8-6-4-3-5-7(8)13/h3-6,9H,1-2H3,(H2,14,15,19).
What are the key properties of 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea?
1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea has a molecular weight of 280.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 21400903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).