3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine

C17H16Cl2N4O — CID 143988961

IUPAC3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine
SMILESCOc1ccc(N)c(-n2c(-c3cc(Cl)ccc3Cl)nc(C)c2N)c1
InChIInChI=1S/C17H16Cl2N4O/c1-9-16(21)23(15-8-11(24-2)4-6-14(15)20)17(22-9)12-7-10(18)3-5-13(12)19/h3-8H,20-21H2,1-2H3
InChIKeyQYITVOBPLVYJCK-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.33
Rot. Bonds3

About 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine

3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine (PubChem CID 143988961) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine.

Molecular Properties

Compound Name3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine
PubChem CID143988961
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine
SMILESCOc1ccc(N)c(-n2c(-c3cc(Cl)ccc3Cl)nc(C)c2N)c1
InChIInChI=1S/C17H16Cl2N4O/c1-9-16(21)23(15-8-11(24-2)4-6-14(15)20)17(22-9)12-7-10(18)3-5-13(12)19/h3-8H,20-21H2,1-2H3
InChIKeyQYITVOBPLVYJCK-UHFFFAOYSA-N
XLogP4.33
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine 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

4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 142961507
2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one
CID 23818641
2-(2,5-dichlorophenyl)-4-methoxypyridine
CID 118819379
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole
CID 141127441
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423
6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-amine
CID 71291458
3-(2,5-dichlorophenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 59321218
2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine
CID 82875655
5-(6-methoxynaphthalen-2-yl)-2,3-dimethylimidazol-4-amine
CID 62226138
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
4-methoxy-2-pyrazol-1-ylaniline
CID 16744027

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine?
The IUPAC name of 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine (CID 143988961) is 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine.
What is the SMILES notation for 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine?
The canonical SMILES for 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine is COc1ccc(N)c(-n2c(-c3cc(Cl)ccc3Cl)nc(C)c2N)c1.
What is the InChIKey of 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine?
The InChIKey is QYITVOBPLVYJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-9-16(21)23(15-8-11(24-2)4-6-14(15)20)17(22-9)12-7-10(18)3-5-13(12)19/h3-8H,20-21H2,1-2H3.
What are the key properties of 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine?
3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine has a molecular weight of 363.25 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine is sourced from PubChem (CID 143988961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).