1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride

C18H20ClN3O2 — CID 171668602

IUPAC1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
SMILESCOc1ccc(NC2=NCC(=O)N2c2cc(C)ccc2C)cc1.Cl
InChIInChI=1S/C18H19N3O2.ClH/c1-12-4-5-13(2)16(10-12)21-17(22)11-19-18(21)20-14-6-8-15(23-3)9-7-14;/h4-10H,11H2,1-3H3,(H,19,20);1H
InChIKeyXKVXBSVGTWKOBB-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.55
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride

1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride (PubChem CID 171668602) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
PubChem CID171668602
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
SMILESCOc1ccc(NC2=NCC(=O)N2c2cc(C)ccc2C)cc1.Cl
InChIInChI=1S/C18H19N3O2.ClH/c1-12-4-5-13(2)16(10-12)21-17(22)11-19-18(21)20-14-6-8-15(23-3)9-7-14;/h4-10H,11H2,1-3H3,(H,19,20);1H
InChIKeyXKVXBSVGTWKOBB-UHFFFAOYSA-N
XLogP3.55
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride (CID 171668602) is 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride is COc1ccc(NC2=NCC(=O)N2c2cc(C)ccc2C)cc1.Cl.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride?
The InChIKey is XKVXBSVGTWKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2.ClH/c1-12-4-5-13(2)16(10-12)21-17(22)11-19-18(21)20-14-6-8-15(23-3)9-7-14;/h4-10H,11H2,1-3H3,(H,19,20);1H.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride?
1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 171668602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).