1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine

C13H15ClN4 — CID 168629507

IUPAC1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(C)c(Cl)cc2C)c(N)n1
InChIInChI=1S/C13H15ClN4/c1-8-5-12(14)9(2)4-11(8)6-16-18-7-10(3)17-13(18)15/h4-7H,1-3H3,(H2,15,17)
InChIKeyLTYNQMHYFRZUSW-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.93
Rot. Bonds2

About 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629507) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629507
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(C)c(Cl)cc2C)c(N)n1
InChIInChI=1S/C13H15ClN4/c1-8-5-12(14)9(2)4-11(8)6-16-18-7-10(3)17-13(18)15/h4-7H,1-3H3,(H2,15,17)
InChIKeyLTYNQMHYFRZUSW-UHFFFAOYSA-N
XLogP2.93
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-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

5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol
CID 168630803
1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628758
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-5-chloro-2-ethoxyphenol
CID 168630716
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol
CID 168630885
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-3-bromo-4-chlorophenol
CID 168631325
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168629507) is 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cc(C)c(Cl)cc2C)c(N)n1.
What is the InChIKey of 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is LTYNQMHYFRZUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8-5-12(14)9(2)4-11(8)6-16-18-7-10(3)17-13(18)15/h4-7H,1-3H3,(H2,15,17).
What are the key properties of 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 262.74 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).