4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one

C13H15FN2O — CID 68979776

IUPAC4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one
SMILESCCCC1(c2ccc(F)cc2)N=C(C)NC1=O
InChIInChI=1S/C13H15FN2O/c1-3-8-13(12(17)15-9(2)16-13)10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyHMDCUPTUGXZIEQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.37
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one

4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one (PubChem CID 68979776) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one
PubChem CID68979776
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one
SMILESCCCC1(c2ccc(F)cc2)N=C(C)NC1=O
InChIInChI=1S/C13H15FN2O/c1-3-8-13(12(17)15-9(2)16-13)10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyHMDCUPTUGXZIEQ-UHFFFAOYSA-N
XLogP2.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one (CID 68979776) is 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one is CCCC1(c2ccc(F)cc2)N=C(C)NC1=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one?
The InChIKey is HMDCUPTUGXZIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-8-13(12(17)15-9(2)16-13)10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one?
4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one has a molecular weight of 234.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one is sourced from PubChem (CID 68979776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).