[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine

C11H12BrN3 — CID 82304335

IUPAC[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine
SMILESCn1cc(CN)nc1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c1-15-7-10(6-13)14-11(15)8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3
InChIKeyQOCMURBPYUZEKB-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.31
Rot. Bonds2

About [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine

[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine (PubChem CID 82304335) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine
PubChem CID82304335
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine
SMILESCn1cc(CN)nc1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c1-15-7-10(6-13)14-11(15)8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3
InChIKeyQOCMURBPYUZEKB-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine
CID 82284703
2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole
CID 129139559
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
CID 82286802
[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487224
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
3-(4-bromophenyl)-4-methyl-1,2,4-triazole
CID 79014882
[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452734
2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride
CID 19869743
4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 172992944
2-(4-fluorophenyl)-1-methylimidazol-4-ol
CID 106952412
5-bromo-2-(4-bromophenyl)-1-methylimidazole
CID 117259276
[3-(4-bromophenyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138416

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine?
The IUPAC name of [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine (CID 82304335) is [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine?
The canonical SMILES for [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine is Cn1cc(CN)nc1-c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine?
The InChIKey is QOCMURBPYUZEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-15-7-10(6-13)14-11(15)8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3.
What are the key properties of [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine?
[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine has a molecular weight of 266.14 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 82304335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).