1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one

C17H17N3O2 — CID 1454445

IUPAC1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one
SMILESCOc1ccc(NC2=NCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-15-9-7-14(8-10-15)19-17-18-11-16(21)20(17)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyVRLKLCWCNHYASU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.51
Rot. Bonds4

About 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one

1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one (PubChem CID 1454445) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one
PubChem CID1454445
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one
SMILESCOc1ccc(NC2=NCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-15-9-7-14(8-10-15)19-17-18-11-16(21)20(17)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyVRLKLCWCNHYASU-UHFFFAOYSA-N
XLogP2.51
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one?
The IUPAC name of 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one (CID 1454445) is 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one is COc1ccc(NC2=NCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one?
The InChIKey is VRLKLCWCNHYASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-15-9-7-14(8-10-15)19-17-18-11-16(21)20(17)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one?
1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one has a molecular weight of 295.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one is sourced from PubChem (CID 1454445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).