2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine

C10H11BrN4 — CID 116835110

IUPAC2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine
SMILESNCC(c1cccnc1)c1ncc(Br)[nH]1
InChIInChI=1S/C10H11BrN4/c11-9-6-14-10(15-9)8(4-12)7-2-1-3-13-5-7/h1-3,5-6,8H,4,12H2,(H,14,15)
InChIKeyVPZNQVMKKPRIOW-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.66
Rot. Bonds3

About 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine

2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine (PubChem CID 116835110) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine
PubChem CID116835110
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine
SMILESNCC(c1cccnc1)c1ncc(Br)[nH]1
InChIInChI=1S/C10H11BrN4/c11-9-6-14-10(15-9)8(4-12)7-2-1-3-13-5-7/h1-3,5-6,8H,4,12H2,(H,14,15)
InChIKeyVPZNQVMKKPRIOW-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 116835106
2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine
CID 116835043
6-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 116835096
2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine
CID 82281094
5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one
CID 116835058
2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 116835069
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421
2-phenyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)ethanamine
CID 62878389
2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 116835081
2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
CID 116835015
2,2-dipyridin-3-ylethanol
CID 57450821
2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 62878746

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine?
The IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine (CID 116835110) is 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine is NCC(c1cccnc1)c1ncc(Br)[nH]1.
What is the InChIKey of 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine?
The InChIKey is VPZNQVMKKPRIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-9-6-14-10(15-9)8(4-12)7-2-1-3-13-5-7/h1-3,5-6,8H,4,12H2,(H,14,15).
What are the key properties of 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine?
2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine has a molecular weight of 267.13 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 116835110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).