5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine

C14H18BrN3 — CID 55048113

IUPAC5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine
SMILESCc1nc(-c2cccc(Br)c2)c(N)n1C(C)(C)C
InChIInChI=1S/C14H18BrN3/c1-9-17-12(10-6-5-7-11(15)8-10)13(16)18(9)14(2,3)4/h5-8H,16H2,1-4H3
InChIKeyMWJDHPLYONJUJQ-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.96
Rot. Bonds1

About 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine

5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine (PubChem CID 55048113) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine
PubChem CID55048113
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine
SMILESCc1nc(-c2cccc(Br)c2)c(N)n1C(C)(C)C
InChIInChI=1S/C14H18BrN3/c1-9-17-12(10-6-5-7-11(15)8-10)13(16)18(9)14(2,3)4/h5-8H,16H2,1-4H3
InChIKeyMWJDHPLYONJUJQ-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-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-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine?
The IUPAC name of 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine (CID 55048113) is 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine is Cc1nc(-c2cccc(Br)c2)c(N)n1C(C)(C)C.
What is the InChIKey of 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine?
The InChIKey is MWJDHPLYONJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-9-17-12(10-6-5-7-11(15)8-10)13(16)18(9)14(2,3)4/h5-8H,16H2,1-4H3.
What are the key properties of 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine?
5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine has a molecular weight of 308.22 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine is sourced from PubChem (CID 55048113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).