1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one

C15H13FN2O4 — CID 15567557

IUPAC1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one
SMILESCC(=O)n1c(C)c(C(=O)c2ccc(F)cc2)n(C(C)=O)c1=O
InChIInChI=1S/C15H13FN2O4/c1-8-13(14(21)11-4-6-12(16)7-5-11)18(10(3)20)15(22)17(8)9(2)19/h4-7H,1-3H3
InChIKeyYWJFVYFWZRQIDM-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.65
Rot. Bonds2

About 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one

1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one (PubChem CID 15567557) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one.

Molecular Properties

Compound Name1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one
PubChem CID15567557
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one
SMILESCC(=O)n1c(C)c(C(=O)c2ccc(F)cc2)n(C(C)=O)c1=O
InChIInChI=1S/C15H13FN2O4/c1-8-13(14(21)11-4-6-12(16)7-5-11)18(10(3)20)15(22)17(8)9(2)19/h4-7H,1-3H3
InChIKeyYWJFVYFWZRQIDM-UHFFFAOYSA-N
XLogP1.65
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one?
The IUPAC name of 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one (CID 15567557) is 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one.
What is the SMILES notation for 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one?
The canonical SMILES for 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one is CC(=O)n1c(C)c(C(=O)c2ccc(F)cc2)n(C(C)=O)c1=O.
What is the InChIKey of 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one?
The InChIKey is YWJFVYFWZRQIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-8-13(14(21)11-4-6-12(16)7-5-11)18(10(3)20)15(22)17(8)9(2)19/h4-7H,1-3H3.
What are the key properties of 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one?
1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one has a molecular weight of 304.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one is sourced from PubChem (CID 15567557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).