4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine

C11H13ClN4O — CID 82298326

IUPAC4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine
SMILESCOc1cc(C)c(-c2cn(N)c(N)n2)cc1Cl
InChIInChI=1S/C11H13ClN4O/c1-6-3-10(17-2)8(12)4-7(6)9-5-16(14)11(13)15-9/h3-5H,14H2,1-2H3,(H2,13,15)
InChIKeyAKLJENNPSWFFSA-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.82
Rot. Bonds2

About 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine

4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine (PubChem CID 82298326) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine.

Molecular Properties

Compound Name4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine
PubChem CID82298326
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine
SMILESCOc1cc(C)c(-c2cn(N)c(N)n2)cc1Cl
InChIInChI=1S/C11H13ClN4O/c1-6-3-10(17-2)8(12)4-7(6)9-5-16(14)11(13)15-9/h3-5H,14H2,1-2H3,(H2,13,15)
InChIKeyAKLJENNPSWFFSA-UHFFFAOYSA-N
XLogP1.82
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
CID 82295331
4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine
CID 95475434
4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine
CID 82294442
4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
CID 82295339
4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832501
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-7-amine
CID 135335466
4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine
CID 82487480
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-amine;hydrochloride
CID 135335467
6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 135335358

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine?
The IUPAC name of 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine (CID 82298326) is 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine.
What is the SMILES notation for 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine?
The canonical SMILES for 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine is COc1cc(C)c(-c2cn(N)c(N)n2)cc1Cl.
What is the InChIKey of 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine?
The InChIKey is AKLJENNPSWFFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-3-10(17-2)8(12)4-7(6)9-5-16(14)11(13)15-9/h3-5H,14H2,1-2H3,(H2,13,15).
What are the key properties of 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine?
4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine has a molecular weight of 252.71 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine is sourced from PubChem (CID 82298326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).