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

C11H12BrN3 — CID 106556388

IUPAC1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine
SMILESCNc1nccn1-c1ccc(Br)cc1C
InChIInChI=1S/C11H12BrN3/c1-8-7-9(12)3-4-10(8)15-6-5-14-11(15)13-2/h3-7H,1-2H3,(H,13,14)
InChIKeyHZYAXEOEDIWWOW-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.98
Rot. Bonds2

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

1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine (PubChem CID 106556388) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine
PubChem CID106556388
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine
SMILESCNc1nccn1-c1ccc(Br)cc1C
InChIInChI=1S/C11H12BrN3/c1-8-7-9(12)3-4-10(8)15-6-5-14-11(15)13-2/h3-7H,1-2H3,(H,13,14)
InChIKeyHZYAXEOEDIWWOW-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methylimidazol-2-amine
CID 106558582
1-(2,5-dimethylphenyl)-N-methylimidazol-2-amine
CID 106558210
1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
CID 106562851
1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine
CID 107581447
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
CID 106566372
1-(2-chloro-5-methylphenyl)-N-methylimidazol-2-amine
CID 107628225
N-(4-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 106556434
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
5-bromo-2-(2-methylimidazol-1-yl)aniline
CID 24707563
1-(4-bromo-2-fluorophenyl)-N-phenylimidazol-2-amine
CID 106556947
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine (CID 106556388) is 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine is CNc1nccn1-c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine?
The InChIKey is HZYAXEOEDIWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-7-9(12)3-4-10(8)15-6-5-14-11(15)13-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine?
1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine has a molecular weight of 266.14 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine is sourced from PubChem (CID 106556388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).