4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one

C11H10N2O3 — CID 15567532

IUPAC4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one
SMILESCOc1ccc(C(=O)c2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)10(14)9-6-12-11(15)13-9/h2-6H,1H3,(H2,12,13,15)
InChIKeyOLPHVVYQJSUSSV-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.94
Rot. Bonds3

About 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one

4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one (PubChem CID 15567532) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one
PubChem CID15567532
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one
SMILESCOc1ccc(C(=O)c2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)10(14)9-6-12-11(15)13-9/h2-6H,1H3,(H2,12,13,15)
InChIKeyOLPHVVYQJSUSSV-UHFFFAOYSA-N
XLogP0.94
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one (CID 15567532) is 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one is COc1ccc(C(=O)c2c[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one?
The InChIKey is OLPHVVYQJSUSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)10(14)9-6-12-11(15)13-9/h2-6H,1H3,(H2,12,13,15).
What are the key properties of 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one?
4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one has a molecular weight of 218.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 15567532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).