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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Related Compounds

1-benzyl-2-(3-methylanilino)-4H-imidazol-5-one
CID 651451
1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
CID 171668609
1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 162113175
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
CID 171668602
2-(3-methoxyanilino)-1-phenyl-4H-imidazol-5-one
CID 1454517
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110592605
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
(4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide
CID 41032248
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594328
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403

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).