5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole

C17H10BrF3N4 — CID 136929747

IUPAC5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc2[nH]c(-c3cc(-c4ccccc4)n[nH]3)nc2cc1Br
InChIInChI=1S/C17H10BrF3N4/c18-11-7-14-13(6-10(11)17(19,20)21)22-16(23-14)15-8-12(24-25-15)9-4-2-1-3-5-9/h1-8H,(H,22,23)(H,24,25)
InChIKeyHAXKWQCAIKUVJU-UHFFFAOYSA-N
MW407.19 g/mol
LogP5.40
Rot. Bonds2

About 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole

5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 136929747) has the molecular formula C17H10BrF3N4 and a molecular weight of 407.19 g/mol. Its IUPAC name is 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID136929747
Molecular FormulaC17H10BrF3N4
Molecular Weight407.19 g/mol
Exact Mass406.00
IUPAC Name5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc2[nH]c(-c3cc(-c4ccccc4)n[nH]3)nc2cc1Br
InChIInChI=1S/C17H10BrF3N4/c18-11-7-14-13(6-10(11)17(19,20)21)22-16(23-14)15-8-12(24-25-15)9-4-2-1-3-5-9/h1-8H,(H,22,23)(H,24,25)
InChIKeyHAXKWQCAIKUVJU-UHFFFAOYSA-N
XLogP5.40
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.19
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 136929791
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
5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole
CID 134462721
6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 136929757
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555452
[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 88730884
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929686
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole (CID 136929747) is 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccccc4)n[nH]3)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is HAXKWQCAIKUVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF3N4/c18-11-7-14-13(6-10(11)17(19,20)21)22-16(23-14)15-8-12(24-25-15)9-4-2-1-3-5-9/h1-8H,(H,22,23)(H,24,25).
What are the key properties of 5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole?
5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 407.19 g/mol, XLogP of 5.40, 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-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 136929747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).