4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one

C14H16FN3O — CID 114835182

IUPAC4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one
SMILESCC1(Cc2cccc(F)c2)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C14H16FN3O/c1-14(8-9-3-2-4-10(15)7-9)12(16)17-13(19)18(14)11-5-6-11/h2-4,7,11H,5-6,8H2,1H3,(H2,16,17,19)
InChIKeyOXPRDZGUZROGCQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one

4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one (PubChem CID 114835182) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one
PubChem CID114835182
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one
SMILESCC1(Cc2cccc(F)c2)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C14H16FN3O/c1-14(8-9-3-2-4-10(15)7-9)12(16)17-13(19)18(14)11-5-6-11/h2-4,7,11H,5-6,8H2,1H3,(H2,16,17,19)
InChIKeyOXPRDZGUZROGCQ-UHFFFAOYSA-N
XLogP2.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one (CID 114835182) is 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one is CC1(Cc2cccc(F)c2)C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one?
The InChIKey is OXPRDZGUZROGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-14(8-9-3-2-4-10(15)7-9)12(16)17-13(19)18(14)11-5-6-11/h2-4,7,11H,5-6,8H2,1H3,(H2,16,17,19).
What are the key properties of 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one?
4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one has a molecular weight of 261.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-5-[(3-fluorophenyl)methyl]-5-methylimidazol-2-one is sourced from PubChem (CID 114835182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).