4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline

C15H11BrFN3 — CID 116877777

IUPAC4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1ccc(-c2ncc(-c3cc(Br)ccc3F)[nH]2)cc1
InChIInChI=1S/C15H11BrFN3/c16-10-3-6-13(17)12(7-10)14-8-19-15(20-14)9-1-4-11(18)5-2-9/h1-8H,18H2,(H,19,20)
InChIKeyOZIGLPWBJVIXCU-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.23
Rot. Bonds2

About 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline

4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline (PubChem CID 116877777) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline
PubChem CID116877777
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1ccc(-c2ncc(-c3cc(Br)ccc3F)[nH]2)cc1
InChIInChI=1S/C15H11BrFN3/c16-10-3-6-13(17)12(7-10)14-8-19-15(20-14)9-1-4-11(18)5-2-9/h1-8H,18H2,(H,19,20)
InChIKeyOZIGLPWBJVIXCU-UHFFFAOYSA-N
XLogP4.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]aniline
CID 116877778
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386916
1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 82970486
5-(4-bromophenyl)-2-phenyl-1H-imidazole
CID 12858161
4-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]aniline
CID 116877775
5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline
CID 103386879
4-[2-[4-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]aniline
CID 68628481
5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole
CID 58510120
4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386914
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386906
4-(5-bromo-1H-imidazol-2-yl)-3-fluoroaniline
CID 67702975

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline?
The IUPAC name of 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline (CID 116877777) is 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline.
What is the SMILES notation for 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline?
The canonical SMILES for 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline is Nc1ccc(-c2ncc(-c3cc(Br)ccc3F)[nH]2)cc1.
What is the InChIKey of 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline?
The InChIKey is OZIGLPWBJVIXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-10-3-6-13(17)12(7-10)14-8-19-15(20-14)9-1-4-11(18)5-2-9/h1-8H,18H2,(H,19,20).
What are the key properties of 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline?
4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline has a molecular weight of 332.18 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline is sourced from PubChem (CID 116877777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).