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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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).