5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine

C12H14ClN3O — CID 113456519

IUPAC5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine
SMILESCOc1cccc(Cl)c1-c1nc(C)n(C)c1N
InChIInChI=1S/C12H14ClN3O/c1-7-15-11(12(14)16(7)2)10-8(13)5-4-6-9(10)17-3/h4-6H,14H2,1-3H3
InChIKeyXAJWSIHJLRGHBI-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.64
Rot. Bonds2

About 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine

5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine (PubChem CID 113456519) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine
PubChem CID113456519
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine
SMILESCOc1cccc(Cl)c1-c1nc(C)n(C)c1N
InChIInChI=1S/C12H14ClN3O/c1-7-15-11(12(14)16(7)2)10-8(13)5-4-6-9(10)17-3/h4-6H,14H2,1-3H3
InChIKeyXAJWSIHJLRGHBI-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104818577
5-(2-chloro-6-methoxyphenyl)-2-ethyl-3-propylimidazol-4-amine
CID 104817992
5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 104818026
5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 104818038
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973
3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine
CID 62224310
4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
CID 39819500
3-chloro-2-(4,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 63723452
5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine
CID 55048692
2,3-dimethyl-5-(2-methylphenyl)imidazol-4-amine
CID 62225946
5-(2-chloro-6-methoxyphenyl)pyrazin-2-amine
CID 39826444

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine?
The IUPAC name of 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine (CID 113456519) is 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine.
What is the SMILES notation for 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine?
The canonical SMILES for 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine is COc1cccc(Cl)c1-c1nc(C)n(C)c1N.
What is the InChIKey of 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine?
The InChIKey is XAJWSIHJLRGHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-15-11(12(14)16(7)2)10-8(13)5-4-6-9(10)17-3/h4-6H,14H2,1-3H3.
What are the key properties of 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine?
5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine is sourced from PubChem (CID 113456519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).