5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine

C21H11BrClF4N3O — CID 87576758

IUPAC5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFc1cccc(Cl)c1-c1nc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(Br)[nH]1
InChIInChI=1S/C21H11BrClF4N3O/c22-19-18(29-20(30-19)17-14(23)2-1-3-15(17)24)12-6-9-16(28-10-12)11-4-7-13(8-5-11)31-21(25,26)27/h1-10H,(H,29,30)
InChIKeyGYPVIXVQKQBUGC-UHFFFAOYSA-N
MW512.69 g/mol
LogP7.26
Rot. Bonds4

About 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine

5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 87576758) has the molecular formula C21H11BrClF4N3O and a molecular weight of 512.69 g/mol. Its IUPAC name is 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID87576758
Molecular FormulaC21H11BrClF4N3O
Molecular Weight512.69 g/mol
Exact Mass510.97
IUPAC Name5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFc1cccc(Cl)c1-c1nc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(Br)[nH]1
InChIInChI=1S/C21H11BrClF4N3O/c22-19-18(29-20(30-19)17-14(23)2-1-3-15(17)24)12-6-9-16(28-10-12)11-4-7-13(8-5-11)31-21(25,26)27/h1-10H,(H,29,30)
InChIKeyGYPVIXVQKQBUGC-UHFFFAOYSA-N
XLogP7.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.69
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine with MolForge

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Related Compounds

4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid
CID 69189659
2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole
CID 24957821
2-(2-chloro-6-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 59587669
2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole
CID 143720020
2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one
CID 70825126
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134629495
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
3-fluoro-2-[4-(trifluoromethoxy)phenyl]aniline
CID 119014295
1-(chloromethyl)-3-fluoro-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134620016
2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine
CID 70833629
1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 164895087
3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile
CID 134630909

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine (CID 87576758) is 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine is Fc1cccc(Cl)c1-c1nc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(Br)[nH]1.
What is the InChIKey of 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is GYPVIXVQKQBUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11BrClF4N3O/c22-19-18(29-20(30-19)17-14(23)2-1-3-15(17)24)12-6-9-16(28-10-12)11-4-7-13(8-5-11)31-21(25,26)27/h1-10H,(H,29,30).
What are the key properties of 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine?
5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 512.69 g/mol, XLogP of 7.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 87576758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).