2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide

C20H19N3O4 — CID 5201776

IUPAC2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide
SMILESCC(=O)c1c(C)nc(-c2ccc(OCC(=O)Nc3ccccc3)cc2)n1O
InChIInChI=1S/C20H19N3O4/c1-13-19(14(2)24)23(26)20(21-13)15-8-10-17(11-9-15)27-12-18(25)22-16-6-4-3-5-7-16/h3-11,26H,12H2,1-2H3,(H,22,25)
InChIKeyLSBGVFQDBBSISG-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide

2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide (PubChem CID 5201776) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide
PubChem CID5201776
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide
SMILESCC(=O)c1c(C)nc(-c2ccc(OCC(=O)Nc3ccccc3)cc2)n1O
InChIInChI=1S/C20H19N3O4/c1-13-19(14(2)24)23(26)20(21-13)15-8-10-17(11-9-15)27-12-18(25)22-16-6-4-3-5-7-16/h3-11,26H,12H2,1-2H3,(H,22,25)
InChIKeyLSBGVFQDBBSISG-UHFFFAOYSA-N
XLogP3.32
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide (CID 5201776) is 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide is CC(=O)c1c(C)nc(-c2ccc(OCC(=O)Nc3ccccc3)cc2)n1O.
What is the InChIKey of 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide?
The InChIKey is LSBGVFQDBBSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-19(14(2)24)23(26)20(21-13)15-8-10-17(11-9-15)27-12-18(25)22-16-6-4-3-5-7-16/h3-11,26H,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide?
2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide has a molecular weight of 365.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-acetyl-1-hydroxy-4-methylimidazol-2-yl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 5201776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).