1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine

C11H12BrN3 — CID 106557045

IUPAC1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2ccc(Br)c(C)c2)c(N)n1
InChIInChI=1S/C11H12BrN3/c1-7-5-9(3-4-10(7)12)15-6-8(2)14-11(15)13/h3-6H,1-2H3,(H2,13,14)
InChIKeyFINBXCRBKQBMOX-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.83
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine

1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106557045) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106557045
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2ccc(Br)c(C)c2)c(N)n1
InChIInChI=1S/C11H12BrN3/c1-7-5-9(3-4-10(7)12)15-6-8(2)14-11(15)13/h3-6H,1-2H3,(H2,13,14)
InChIKeyFINBXCRBKQBMOX-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine (CID 106557045) is 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine is Cc1cn(-c2ccc(Br)c(C)c2)c(N)n1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is FINBXCRBKQBMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7-5-9(3-4-10(7)12)15-6-8(2)14-11(15)13/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine?
1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 266.14 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106557045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).