4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline

C9H7BrFN3 — CID 67702975

IUPAC4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline
SMILESNc1ccc(-c2ncc(Br)[nH]2)c(F)c1
InChIInChI=1S/C9H7BrFN3/c10-8-4-13-9(14-8)6-2-1-5(12)3-7(6)11/h1-4H,12H2,(H,13,14)
InChIKeyGWXSMRNJHDTGJM-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.56
Rot. Bonds1

About 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline

4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline (PubChem CID 67702975) has the molecular formula C9H7BrFN3 and a molecular weight of 256.08 g/mol. Its IUPAC name is 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline
PubChem CID67702975
Molecular FormulaC9H7BrFN3
Molecular Weight256.08 g/mol
Exact Mass254.98
IUPAC Name4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline
SMILESNc1ccc(-c2ncc(Br)[nH]2)c(F)c1
InChIInChI=1S/C9H7BrFN3/c10-8-4-13-9(14-8)6-2-1-5(12)3-7(6)11/h1-4H,12H2,(H,13,14)
InChIKeyGWXSMRNJHDTGJM-UHFFFAOYSA-N
XLogP2.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline 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

2-Phenylimidazole
CID 69591
Mifentidine
CID 71263
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
4-(4-fluorophenyl)-1H-imidazole
CID 657876
2-(3-Bromophenyl)histamine
CID 23786499
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
2,4-Diphenylimidazole
CID 296732
4-Methyl-2-phenyl-1H-imidazole
CID 70012
2-(4-Methylphenyl)-1H-imidazole
CID 594045
5-(2-Fluorophenyl)-1H-imidazole
CID 23084904
methyl[(4-phenyl-1H-imidazol-2-yl)methyl]amine
CID 24971325
5-(4-fluorophenyl)-1H-imidazol-2-amine
CID 13012252

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline?
The IUPAC name of 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline (CID 67702975) is 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline?
The canonical SMILES for 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline is Nc1ccc(-c2ncc(Br)[nH]2)c(F)c1.
What is the InChIKey of 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline?
The InChIKey is GWXSMRNJHDTGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3/c10-8-4-13-9(14-8)6-2-1-5(12)3-7(6)11/h1-4H,12H2,(H,13,14).
What are the key properties of 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline?
4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline has a molecular weight of 256.08 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline is sourced from PubChem (CID 67702975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).