[2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine

C11H12BrN3 — CID 150091384

IUPAC[2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine
SMILESCn1ccnc1-c1ccc(Br)c(CN)c1
InChIInChI=1S/C11H12BrN3/c1-15-5-4-14-11(15)8-2-3-10(12)9(6-8)7-13/h2-6H,7,13H2,1H3
InChIKeyDTHFDMLNAQVWJB-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.31
Rot. Bonds2

About [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine

[2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine (PubChem CID 150091384) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine
PubChem CID150091384
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name[2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine
SMILESCn1ccnc1-c1ccc(Br)c(CN)c1
InChIInChI=1S/C11H12BrN3/c1-15-5-4-14-11(15)8-2-3-10(12)9(6-8)7-13/h2-6H,7,13H2,1H3
InChIKeyDTHFDMLNAQVWJB-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

1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-(3-bromo-4-propoxyphenyl)-1-methylimidazole
CID 110538855
[2-bromo-5-(3-methylphenyl)phenyl]methanamine
CID 115051058
2-(4-chloro-3-methylphenyl)-1-methylimidazole
CID 172691387
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
[2-bromo-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107280501
N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63976634
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
(2-bromo-5-imidazol-1-ylphenyl)methanamine
CID 84707582
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine (CID 150091384) is [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine is Cn1ccnc1-c1ccc(Br)c(CN)c1.
What is the InChIKey of [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine?
The InChIKey is DTHFDMLNAQVWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-15-5-4-14-11(15)8-2-3-10(12)9(6-8)7-13/h2-6H,7,13H2,1H3.
What are the key properties of [2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine?
[2-bromo-5-(1-methylimidazol-2-yl)phenyl]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-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 150091384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).