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

C6H10BrN3 — CID 83881752

IUPAC1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
SMILESCC(N)Cc1ncc(Br)[nH]1
InChIInChI=1S/C6H10BrN3/c1-4(8)2-6-9-3-5(7)10-6/h3-4H,2,8H2,1H3,(H,9,10)
InChIKeyCGROVIOFIOFCNM-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.06
Rot. Bonds2

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

1-(5-bromo-1H-imidazol-2-yl)propan-2-amine (PubChem CID 83881752) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 1-(5-bromo-1H-imidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
PubChem CID83881752
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
SMILESCC(N)Cc1ncc(Br)[nH]1
InChIInChI=1S/C6H10BrN3/c1-4(8)2-6-9-3-5(7)10-6/h3-4H,2,8H2,1H3,(H,9,10)
InChIKeyCGROVIOFIOFCNM-UHFFFAOYSA-N
XLogP1.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine
CID 84769786
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843198
5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole
CID 117259218
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 18934579
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 83699172
1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
CID 126983139
2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
CID 116835015
1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
CID 60842671
1-(1,4-dihydroimidazo[4,5-d]pyrazol-5-yl)propan-2-amine
CID 136922884
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876745

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-imidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-1H-imidazol-2-yl)propan-2-amine (CID 83881752) is 1-(5-bromo-1H-imidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-1H-imidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-1H-imidazol-2-yl)propan-2-amine is CC(N)Cc1ncc(Br)[nH]1.
What is the InChIKey of 1-(5-bromo-1H-imidazol-2-yl)propan-2-amine?
The InChIKey is CGROVIOFIOFCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-4(8)2-6-9-3-5(7)10-6/h3-4H,2,8H2,1H3,(H,9,10).
What are the key properties of 1-(5-bromo-1H-imidazol-2-yl)propan-2-amine?
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine has a molecular weight of 204.07 g/mol, XLogP of 1.06, 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)propan-2-amine is sourced from PubChem (CID 83881752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).