3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one

C17H17N3O2 — CID 15219216

IUPAC3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one
SMILESCOC1=NC(C)(c2ccccc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3
InChIKeyDZVSIMNBHHFHAL-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.77
Rot. Bonds3

About 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one

3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one (PubChem CID 15219216) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one
PubChem CID15219216
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one
SMILESCOC1=NC(C)(c2ccccc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3
InChIKeyDZVSIMNBHHFHAL-UHFFFAOYSA-N
XLogP2.77
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one?
The IUPAC name of 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one (CID 15219216) is 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one is COC1=NC(C)(c2ccccc2)C(=O)N1Nc1ccccc1.
What is the InChIKey of 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one?
The InChIKey is DZVSIMNBHHFHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3.
What are the key properties of 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one?
3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-methoxy-5-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 15219216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).