1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one

C18H19N3O — CID 1454440

IUPAC1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one
SMILESCc1ccc(NC2=NCC(=O)N2Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H19N3O/c1-13-8-9-16(14(2)10-13)20-18-19-11-17(22)21(18)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyMJEMDNZLQPIJIE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.11
Rot. Bonds3

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

1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one (PubChem CID 1454440) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one
PubChem CID1454440
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one
SMILESCc1ccc(NC2=NCC(=O)N2Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H19N3O/c1-13-8-9-16(14(2)10-13)20-18-19-11-17(22)21(18)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyMJEMDNZLQPIJIE-UHFFFAOYSA-N
XLogP3.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methylphenyl)-3-phenylurea
CID 1594702
1-Benzyl-3-(2,4-xylyl)urea
CID 4612352
N-(3,5-dimethylphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4879217
1-[2-[(2,4-Dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 9505890
N-(2,6-dimethylphenyl)-N~2~-phenylglycinamide
CID 684324
N-[1-[(Z)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]-4-phenylbutanamide
CID 11361743
5-Chloro-1-(1-ethylpropyl)-3-(2,4,6-trimethylphenylamino)pyrazin-2(1H)-one
CID 15485770
1,1-Dipropyl-3-(2,4-xylyl)urea
CID 3311942
1,1-Diethyl-3-(2,4-xylyl)urea
CID 4548329
3-Cyclohexyl-2-(2-ethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 649300
1-(2-Dimethylamino-ethyl)-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-urea
CID 651257
3-Benzyl-2-(2-ethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655009

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one?
The IUPAC name of 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one (CID 1454440) is 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one is Cc1ccc(NC2=NCC(=O)N2Cc2ccccc2)c(C)c1.
What is the InChIKey of 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one?
The InChIKey is MJEMDNZLQPIJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-8-9-16(14(2)10-13)20-18-19-11-17(22)21(18)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one?
1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2,4-dimethylanilino)-4H-imidazol-5-one is sourced from PubChem (CID 1454440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).