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

C11H12BrN3 — CID 106573027

IUPACN-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
SMILESCc1ccc(Nc2nccn2C)cc1Br
InChIInChI=1S/C11H12BrN3/c1-8-3-4-9(7-10(8)12)14-11-13-5-6-15(11)2/h3-7H,1-2H3,(H,13,14)
InChIKeyCXFBSUWYZJEDTJ-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.23
Rot. Bonds2

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

N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine (PubChem CID 106573027) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
PubChem CID106573027
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC NameN-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
SMILESCc1ccc(Nc2nccn2C)cc1Br
InChIInChI=1S/C11H12BrN3/c1-8-3-4-9(7-10(8)12)14-11-13-5-6-15(11)2/h3-7H,1-2H3,(H,13,14)
InChIKeyCXFBSUWYZJEDTJ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine
CID 106574267
N-(3-bromo-4-methoxyphenyl)-1-methylimidazol-2-amine
CID 106573944
N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
CID 106579210
2-methyl-5-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 55244261
2-methyl-4-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 62131138
N-(4-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 106556434
N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 107627985
N-(3-fluoro-5-methylphenyl)-1-methylimidazol-2-amine
CID 106576252
N-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-amine
CID 106557683
N-(3-chlorophenyl)-1-methylimidazol-2-amine
CID 68890475
N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106557048
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine (CID 106573027) is N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine is Cc1ccc(Nc2nccn2C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine?
The InChIKey is CXFBSUWYZJEDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-3-4-9(7-10(8)12)14-11-13-5-6-15(11)2/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine?
N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine has a molecular weight of 266.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 106573027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).