2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine

C15H20BrN3 — CID 116835043

IUPAC2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine
SMILESCCC(C)c1ccc(C(CN)c2ncc(Br)[nH]2)cc1
InChIInChI=1S/C15H20BrN3/c1-3-10(2)11-4-6-12(7-5-11)13(8-17)15-18-9-14(16)19-15/h4-7,9-10,13H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyOKQYHABURPJKBF-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.78
Rot. Bonds5

About 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine

2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine (PubChem CID 116835043) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine
PubChem CID116835043
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine
SMILESCCC(C)c1ccc(C(CN)c2ncc(Br)[nH]2)cc1
InChIInChI=1S/C15H20BrN3/c1-3-10(2)11-4-6-12(7-5-11)13(8-17)15-18-9-14(16)19-15/h4-7,9-10,13H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyOKQYHABURPJKBF-UHFFFAOYSA-N
XLogP3.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine (CID 116835043) is 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine is CCC(C)c1ccc(C(CN)c2ncc(Br)[nH]2)cc1.
What is the InChIKey of 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine?
The InChIKey is OKQYHABURPJKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-10(2)11-4-6-12(7-5-11)13(8-17)15-18-9-14(16)19-15/h4-7,9-10,13H,3,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine?
2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine is sourced from PubChem (CID 116835043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).