[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine

C10H11BrN4 — CID 106718140

IUPAC[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccc(Br)cn2)cn1
InChIInChI=1S/C10H11BrN4/c11-8-1-2-9(13-4-8)5-15-6-10(3-12)14-7-15/h1-2,4,6-7H,3,5,12H2
InChIKeyDIRZFWPLSMGIBE-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.55
Rot. Bonds3

About [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine

[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine (PubChem CID 106718140) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
PubChem CID106718140
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccc(Br)cn2)cn1
InChIInChI=1S/C10H11BrN4/c11-8-1-2-9(13-4-8)5-15-6-10(3-12)14-7-15/h1-2,4,6-7H,3,5,12H2
InChIKeyDIRZFWPLSMGIBE-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylimidazol-4-yl)methanamine
CID 82281097
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine
CID 104801316
[1-[(4-bromo-2-nitrophenyl)methyl]imidazol-4-yl]methanamine
CID 106718161
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637694
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104811703
[1-(4-bromophenyl)imidazol-4-yl]methanamine
CID 82481393
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
CID 104809313
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
CID 82282978
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
CID 104809162

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine (CID 106718140) is [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine is NCc1cn(Cc2ccc(Br)cn2)cn1.
What is the InChIKey of [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is DIRZFWPLSMGIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-8-1-2-9(13-4-8)5-15-6-10(3-12)14-7-15/h1-2,4,6-7H,3,5,12H2.
What are the key properties of [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine?
[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106718140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).