(2-bromo-5-imidazol-1-ylphenyl)methanamine

C10H10BrN3 — CID 84707582

IUPAC(2-bromo-5-imidazol-1-ylphenyl)methanamine
SMILESNCc1cc(-n2ccnc2)ccc1Br
InChIInChI=1S/C10H10BrN3/c11-10-2-1-9(5-8(10)6-12)14-4-3-13-7-14/h1-5,7H,6,12H2
InChIKeyMJLYSOUNGLIWMU-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.09
Rot. Bonds2

About (2-bromo-5-imidazol-1-ylphenyl)methanamine

(2-bromo-5-imidazol-1-ylphenyl)methanamine (PubChem CID 84707582) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is (2-bromo-5-imidazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-imidazol-1-ylphenyl)methanamine
PubChem CID84707582
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name(2-bromo-5-imidazol-1-ylphenyl)methanamine
SMILESNCc1cc(-n2ccnc2)ccc1Br
InChIInChI=1S/C10H10BrN3/c11-10-2-1-9(5-8(10)6-12)14-4-3-13-7-14/h1-5,7H,6,12H2
InChIKeyMJLYSOUNGLIWMU-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-imidazol-1-ylphenyl)methanamine?
The IUPAC name of (2-bromo-5-imidazol-1-ylphenyl)methanamine (CID 84707582) is (2-bromo-5-imidazol-1-ylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-imidazol-1-ylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-imidazol-1-ylphenyl)methanamine is NCc1cc(-n2ccnc2)ccc1Br.
What is the InChIKey of (2-bromo-5-imidazol-1-ylphenyl)methanamine?
The InChIKey is MJLYSOUNGLIWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-10-2-1-9(5-8(10)6-12)14-4-3-13-7-14/h1-5,7H,6,12H2.
What are the key properties of (2-bromo-5-imidazol-1-ylphenyl)methanamine?
(2-bromo-5-imidazol-1-ylphenyl)methanamine has a molecular weight of 252.12 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-imidazol-1-ylphenyl)methanamine is sourced from PubChem (CID 84707582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).