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

C6H10BrN3 — CID 115023235

IUPAC2-(2-bromo-1H-imidazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1cnc(Br)[nH]1
InChIInChI=1S/C6H10BrN3/c1-6(2,8)4-3-9-5(7)10-4/h3H,8H2,1-2H3,(H,9,10)
InChIKeyBJWQAODEXRISOP-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.37
Rot. Bonds1

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

2-(2-bromo-1H-imidazol-5-yl)propan-2-amine (PubChem CID 115023235) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-1H-imidazol-5-yl)propan-2-amine
PubChem CID115023235
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name2-(2-bromo-1H-imidazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1cnc(Br)[nH]1
InChIInChI=1S/C6H10BrN3/c1-6(2,8)4-3-9-5(7)10-4/h3H,8H2,1-2H3,(H,9,10)
InChIKeyBJWQAODEXRISOP-UHFFFAOYSA-N
XLogP1.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminopropan-2-yl)-1H-imidazole-2-carboxylic acid
CID 115013543
6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one
CID 145178872
5-(3-methylpentan-3-yl)-1H-imidazol-2-amine
CID 19911883
(5-tert-butyl-1H-imidazol-2-yl)methanamine
CID 43649269
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65458906
2-bromo-5-nitroso-1H-imidazole
CID 129157909
1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine
CID 84769786
2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole
CID 84792019
(Z)-4-(5-bromo-1H-imidazol-2-yl)-2-chlorobut-3-en-2-amine
CID 166873196
5-bromo-3-(5-tert-butyl-1H-imidazol-2-yl)-2-methylaniline
CID 114011496
2-(2-methylpyrimidin-5-yl)propan-2-amine
CID 82417261
1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine
CID 66764585

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine?
The IUPAC name of 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine (CID 115023235) is 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine is CC(C)(N)c1cnc(Br)[nH]1.
What is the InChIKey of 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine?
The InChIKey is BJWQAODEXRISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-6(2,8)4-3-9-5(7)10-4/h3H,8H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine?
2-(2-bromo-1H-imidazol-5-yl)propan-2-amine has a molecular weight of 204.07 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1H-imidazol-5-yl)propan-2-amine is sourced from PubChem (CID 115023235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).