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

C15H11BrFN3 — CID 103386916

IUPAC5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1cc(Br)ccc1-c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H11BrFN3/c16-10-3-6-12(13(18)7-10)15-19-8-14(20-15)9-1-4-11(17)5-2-9/h1-8H,18H2,(H,19,20)
InChIKeyRTJDOWVUUYSLRC-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.23
Rot. Bonds2

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

5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline (PubChem CID 103386916) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline.

Molecular Properties

Compound Name5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
PubChem CID103386916
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1cc(Br)ccc1-c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H11BrFN3/c16-10-3-6-12(13(18)7-10)15-19-8-14(20-15)9-1-4-11(17)5-2-9/h1-8H,18H2,(H,19,20)
InChIKeyRTJDOWVUUYSLRC-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

5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline
CID 103386879
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline
CID 143932131
4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386914
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 116877777
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386906
5-(4-bromophenyl)-2-phenyl-1H-imidazole
CID 12858161
4-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]aniline
CID 116877778
2-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505
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-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The IUPAC name of 5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline (CID 103386916) is 5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline.
What is the SMILES notation for 5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The canonical SMILES for 5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline is Nc1cc(Br)ccc1-c1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The InChIKey is RTJDOWVUUYSLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-10-3-6-12(13(18)7-10)15-19-8-14(20-15)9-1-4-11(17)5-2-9/h1-8H,18H2,(H,19,20).
What are the key properties of 5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
5-bromo-2-[5-(4-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 5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline is sourced from PubChem (CID 103386916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).