5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole

C17H9BrF4N4 — CID 136929791

IUPAC5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1
InChIInChI=1S/C17H9BrF4N4/c18-11-6-14-13(5-10(11)17(20,21)22)23-16(24-14)15-7-12(25-26-15)8-1-3-9(19)4-2-8/h1-7H,(H,23,24)(H,25,26)
InChIKeyRVGXQDUYHJDDEV-UHFFFAOYSA-N
MW425.18 g/mol
LogP5.54
Rot. Bonds2

About 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole

5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 136929791) has the molecular formula C17H9BrF4N4 and a molecular weight of 425.18 g/mol. Its IUPAC name is 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID136929791
Molecular FormulaC17H9BrF4N4
Molecular Weight425.18 g/mol
Exact Mass423.99
IUPAC Name5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1
InChIInChI=1S/C17H9BrF4N4/c18-11-6-14-13(5-10(11)17(20,21)22)23-16(24-14)15-7-12(25-26-15)8-1-3-9(19)4-2-8/h1-7H,(H,23,24)(H,25,26)
InChIKeyRVGXQDUYHJDDEV-UHFFFAOYSA-N
XLogP5.54
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.18
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 136929747
5-bromo-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 136929736
[5-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 136960177
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-nitro-1H-benzimidazole
CID 136929754
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929686
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
CID 136960198
2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole
CID 136960216
5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929756
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555452
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 64723741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole (CID 136929791) is 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole is Fc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1.
What is the InChIKey of 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is RVGXQDUYHJDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrF4N4/c18-11-6-14-13(5-10(11)17(20,21)22)23-16(24-14)15-7-12(25-26-15)8-1-3-9(19)4-2-8/h1-7H,(H,23,24)(H,25,26).
What are the key properties of 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole?
5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 425.18 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 136929791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).