5-(3-bromophenyl)-2-tert-butyl-1H-imidazole

C13H15BrN2 — CID 59836686

IUPAC5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
SMILESCC(C)(C)c1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C13H15BrN2/c1-13(2,3)12-15-8-11(16-12)9-5-4-6-10(14)7-9/h4-8H,1-3H3,(H,15,16)
InChIKeyVBQKNUIMEQXHEA-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.14
Rot. Bonds1

About 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole

5-(3-bromophenyl)-2-tert-butyl-1H-imidazole (PubChem CID 59836686) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
PubChem CID59836686
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
SMILESCC(C)(C)c1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C13H15BrN2/c1-13(2,3)12-15-8-11(16-12)9-5-4-6-10(14)7-9/h4-8H,1-3H3,(H,15,16)
InChIKeyVBQKNUIMEQXHEA-UHFFFAOYSA-N
XLogP4.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole 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)-2-tert-butyl-1H-imidazole?
The IUPAC name of 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole (CID 59836686) is 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole.
What is the SMILES notation for 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole?
The canonical SMILES for 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole is CC(C)(C)c1ncc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole?
The InChIKey is VBQKNUIMEQXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-13(2,3)12-15-8-11(16-12)9-5-4-6-10(14)7-9/h4-8H,1-3H3,(H,15,16).
What are the key properties of 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole?
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole has a molecular weight of 279.18 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-tert-butyl-1H-imidazole is sourced from PubChem (CID 59836686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).