1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine

C7H12BrN3 — CID 18934579

IUPAC1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ncc(Br)[nH]1
InChIInChI=1S/C7H12BrN3/c1-4(2)6(9)7-10-3-5(8)11-7/h3-4,6H,9H2,1-2H3,(H,10,11)
InChIKeyLEEIQTGMBJSSBF-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.83
Rot. Bonds2

About 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine

1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 18934579) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine
PubChem CID18934579
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ncc(Br)[nH]1
InChIInChI=1S/C7H12BrN3/c1-4(2)6(9)7-10-3-5(8)11-7/h3-4,6H,9H2,1-2H3,(H,10,11)
InChIKeyLEEIQTGMBJSSBF-UHFFFAOYSA-N
XLogP1.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
CID 116835015
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
methyl 2-(1-amino-2-methylpropyl)-1H-imidazole-5-carboxylate
CID 18934649
N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine
CID 123282366
(5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine
CID 116835371
2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one
CID 63362737
2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 136847536
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine
CID 116835043
1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 65197153
1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 123475669

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine (CID 18934579) is 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1ncc(Br)[nH]1.
What is the InChIKey of 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is LEEIQTGMBJSSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-4(2)6(9)7-10-3-5(8)11-7/h3-4,6H,9H2,1-2H3,(H,10,11).
What are the key properties of 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine?
1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 218.10 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 18934579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).