4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine

C12H15ClN4O2 — CID 63632217

IUPAC4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine
SMILESCOc1ccc(-c2nc(C)n(N)c2N)c(Cl)c1OC
InChIInChI=1S/C12H15ClN4O2/c1-6-16-10(12(14)17(6)15)7-4-5-8(18-2)11(19-3)9(7)13/h4-5H,14-15H2,1-3H3
InChIKeyXFEQXEOQVQPPMM-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.83
Rot. Bonds3

About 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine

4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine (PubChem CID 63632217) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine
PubChem CID63632217
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine
SMILESCOc1ccc(-c2nc(C)n(N)c2N)c(Cl)c1OC
InChIInChI=1S/C12H15ClN4O2/c1-6-16-10(12(14)17(6)15)7-4-5-8(18-2)11(19-3)9(7)13/h4-5H,14-15H2,1-3H3
InChIKeyXFEQXEOQVQPPMM-UHFFFAOYSA-N
XLogP1.83
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine
CID 63632385
[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
4-(3,5-dichlorophenyl)-2-methylimidazole-1,5-diamine
CID 62483387
2-(2-chloro-3,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422373
5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine
CID 113456519
3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline
CID 107627279
2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510015
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
2,3,4-trimethoxyaniline
CID 15455622
3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537527
3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538918
3-ethyl-2-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 62225022

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine?
The IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine (CID 63632217) is 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine.
What is the SMILES notation for 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine?
The canonical SMILES for 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine is COc1ccc(-c2nc(C)n(N)c2N)c(Cl)c1OC.
What is the InChIKey of 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine?
The InChIKey is XFEQXEOQVQPPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-6-16-10(12(14)17(6)15)7-4-5-8(18-2)11(19-3)9(7)13/h4-5H,14-15H2,1-3H3.
What are the key properties of 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine?
4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine has a molecular weight of 282.73 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine is sourced from PubChem (CID 63632217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).