2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine

C10H11BrN4 — CID 11777735

IUPAC2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cncc(Br)c2)[nH]1
InChIInChI=1S/C10H11BrN4/c11-8-3-7(4-13-5-8)10-14-6-9(15-10)1-2-12/h3-6H,1-2,12H2,(H,14,15)
InChIKeyFIFUPUHYWBILJK-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.74
Rot. Bonds3

About 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine

2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 11777735) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine
PubChem CID11777735
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cncc(Br)c2)[nH]1
InChIInChI=1S/C10H11BrN4/c11-8-3-7(4-13-5-8)10-14-6-9(15-10)1-2-12/h3-6H,1-2,12H2,(H,14,15)
InChIKeyFIFUPUHYWBILJK-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
FR-79620
CID 10421577
2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
6-Bromo-4-azabenzimidazole
CID 911578
2-(1H-imidazol-2-yl)pyridine
CID 589313
2-(3-Bromophenyl)histamine
CID 23786499
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
4-(4-Bromophenyl)-1H-imidazole
CID 818595
2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarbonitrile
CID 12405513
Pyrido[4,3-d]pyrimidine deriv. 3z
CID 5328320
3-((1H-imidazol-4-yl)methyl)pyridine
CID 9812843

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine (CID 11777735) is 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(-c2cncc(Br)c2)[nH]1.
What is the InChIKey of 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is FIFUPUHYWBILJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-8-3-7(4-13-5-8)10-14-6-9(15-10)1-2-12/h3-6H,1-2,12H2,(H,14,15).
What are the key properties of 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 267.13 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-3-pyridinyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 11777735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).