5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline

C17H16BrN3 — CID 103386879

IUPAC5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline
SMILESCc1cc(C)cc(-c2cnc(-c3ccc(Br)cc3N)[nH]2)c1
InChIInChI=1S/C17H16BrN3/c1-10-5-11(2)7-12(6-10)16-9-20-17(21-16)14-4-3-13(18)8-15(14)19/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyBYWULVUWGYOUBX-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.71
Rot. Bonds2

About 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline

5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline (PubChem CID 103386879) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline.

Molecular Properties

Compound Name5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline
PubChem CID103386879
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline
SMILESCc1cc(C)cc(-c2cnc(-c3ccc(Br)cc3N)[nH]2)c1
InChIInChI=1S/C17H16BrN3/c1-10-5-11(2)7-12(6-10)16-9-20-17(21-16)14-4-3-13(18)8-15(14)19/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyBYWULVUWGYOUBX-UHFFFAOYSA-N
XLogP4.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline 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-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386916
2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine
CID 103386873
3-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-4-amine
CID 102970594
4-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]aniline
CID 116877778
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline
CID 143932131
4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 116877777
2-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947294
5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386914
5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 61279545
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-4-amine
CID 102970530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline?
The IUPAC name of 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline (CID 103386879) is 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline.
What is the SMILES notation for 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline?
The canonical SMILES for 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline is Cc1cc(C)cc(-c2cnc(-c3ccc(Br)cc3N)[nH]2)c1.
What is the InChIKey of 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline?
The InChIKey is BYWULVUWGYOUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-10-5-11(2)7-12(6-10)16-9-20-17(21-16)14-4-3-13(18)8-15(14)19/h3-9H,19H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline?
5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline has a molecular weight of 342.24 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline is sourced from PubChem (CID 103386879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).