4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one

C14H16N2O3 — CID 15567555

IUPAC4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one
SMILESCOc1ccc(C(=O)c2c(C)n(C)c(=O)n2C)cc1
InChIInChI=1S/C14H16N2O3/c1-9-12(16(3)14(18)15(9)2)13(17)10-5-7-11(19-4)8-6-10/h5-8H,1-4H3
InChIKeyLWESTPBEQWMAHW-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.27
Rot. Bonds3

About 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one

4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one (PubChem CID 15567555) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one
PubChem CID15567555
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one
SMILESCOc1ccc(C(=O)c2c(C)n(C)c(=O)n2C)cc1
InChIInChI=1S/C14H16N2O3/c1-9-12(16(3)14(18)15(9)2)13(17)10-5-7-11(19-4)8-6-10/h5-8H,1-4H3
InChIKeyLWESTPBEQWMAHW-UHFFFAOYSA-N
XLogP1.27
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one?
The IUPAC name of 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one (CID 15567555) is 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one.
What is the SMILES notation for 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one?
The canonical SMILES for 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one is COc1ccc(C(=O)c2c(C)n(C)c(=O)n2C)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one?
The InChIKey is LWESTPBEQWMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-12(16(3)14(18)15(9)2)13(17)10-5-7-11(19-4)8-6-10/h5-8H,1-4H3.
What are the key properties of 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one?
4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one is sourced from PubChem (CID 15567555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).