5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine

C16H22BrN3 — CID 63469461

IUPAC5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C16H22BrN3/c1-4-5-10-20-15(18)14(19-16(20)11(2)3)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10,18H2,1-3H3
InChIKeyJBHQVZOOOLGXCP-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.82
Rot. Bonds5

About 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine

5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine (PubChem CID 63469461) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
PubChem CID63469461
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C16H22BrN3/c1-4-5-10-20-15(18)14(19-16(20)11(2)3)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10,18H2,1-3H3
InChIKeyJBHQVZOOOLGXCP-UHFFFAOYSA-N
XLogP4.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine 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 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine (CID 63469461) is 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine is CCCCn1c(C(C)C)nc(-c2ccc(Br)cc2)c1N.
What is the InChIKey of 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is JBHQVZOOOLGXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-4-5-10-20-15(18)14(19-16(20)11(2)3)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10,18H2,1-3H3.
What are the key properties of 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine?
5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 336.28 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 63469461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).