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

C12H13FN2O — CID 45095382

IUPAC4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one
SMILESCCC1(c2ccc(F)cc2)N=C(C)NC1=O
InChIInChI=1S/C12H13FN2O/c1-3-12(11(16)14-8(2)15-12)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyNSFDGBXWNRIILW-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.98
Rot. Bonds2

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

4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one (PubChem CID 45095382) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one
PubChem CID45095382
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one
SMILESCCC1(c2ccc(F)cc2)N=C(C)NC1=O
InChIInChI=1S/C12H13FN2O/c1-3-12(11(16)14-8(2)15-12)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyNSFDGBXWNRIILW-UHFFFAOYSA-N
XLogP1.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one?
The IUPAC name of 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one (CID 45095382) is 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one.
What is the SMILES notation for 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one?
The canonical SMILES for 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one is CCC1(c2ccc(F)cc2)N=C(C)NC1=O.
What is the InChIKey of 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one?
The InChIKey is NSFDGBXWNRIILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-3-12(11(16)14-8(2)15-12)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one?
4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one has a molecular weight of 220.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-one is sourced from PubChem (CID 45095382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).