1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine

C11H12BrN3O — CID 106579362

IUPAC1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine
SMILESCOc1cc(Br)cc(-n2cc(C)nc2N)c1
InChIInChI=1S/C11H12BrN3O/c1-7-6-15(11(13)14-7)9-3-8(12)4-10(5-9)16-2/h3-6H,1-2H3,(H2,13,14)
InChIKeyJHVKTXMGAOHJHH-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.53
Rot. Bonds2

About 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine

1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine (PubChem CID 106579362) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine
PubChem CID106579362
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine
SMILESCOc1cc(Br)cc(-n2cc(C)nc2N)c1
InChIInChI=1S/C11H12BrN3O/c1-7-6-15(11(13)14-7)9-3-8(12)4-10(5-9)16-2/h3-6H,1-2H3,(H2,13,14)
InChIKeyJHVKTXMGAOHJHH-UHFFFAOYSA-N
XLogP2.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine (CID 106579362) is 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine is COc1cc(Br)cc(-n2cc(C)nc2N)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine?
The InChIKey is JHVKTXMGAOHJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7-6-15(11(13)14-7)9-3-8(12)4-10(5-9)16-2/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine?
1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine has a molecular weight of 282.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106579362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).