2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole

C32H20F3N5 — CID 134169891

IUPAC2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole
SMILESFC(F)(F)c1cc(-n2c(-c3ccccc3)nc3ccccc32)ncc1-n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C32H20F3N5/c33-32(34,35)23-19-29(40-27-18-10-8-16-25(27)38-31(40)22-13-5-2-6-14-22)36-20-28(23)39-26-17-9-7-15-24(26)37-30(39)21-11-3-1-4-12-21/h1-20H
InChIKeyBAIAIEHWLVYANW-UHFFFAOYSA-N
MW531.54 g/mol
LogP8.11
Rot. Bonds4

About 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole

2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole (PubChem CID 134169891) has the molecular formula C32H20F3N5 and a molecular weight of 531.54 g/mol. Its IUPAC name is 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole
PubChem CID134169891
Molecular FormulaC32H20F3N5
Molecular Weight531.54 g/mol
Exact Mass531.17
IUPAC Name2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole
SMILESFC(F)(F)c1cc(-n2c(-c3ccccc3)nc3ccccc32)ncc1-n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C32H20F3N5/c33-32(34,35)23-19-29(40-27-18-10-8-16-25(27)38-31(40)22-13-5-2-6-14-22)36-20-28(23)39-26-17-9-7-15-24(26)37-30(39)21-11-3-1-4-12-21/h1-20H
InChIKeyBAIAIEHWLVYANW-UHFFFAOYSA-N
XLogP8.11
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.54
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
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CID 155173845
2-phenyl-1-(trifluoromethyl)benzimidazole
CID 123856722
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole
CID 134169779
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186007
2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
CID 129040164

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole?
The IUPAC name of 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole (CID 134169891) is 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole is FC(F)(F)c1cc(-n2c(-c3ccccc3)nc3ccccc32)ncc1-n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole?
The InChIKey is BAIAIEHWLVYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F3N5/c33-32(34,35)23-19-29(40-27-18-10-8-16-25(27)38-31(40)22-13-5-2-6-14-22)36-20-28(23)39-26-17-9-7-15-24(26)37-30(39)21-11-3-1-4-12-21/h1-20H.
What are the key properties of 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole?
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole has a molecular weight of 531.54 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole is sourced from PubChem (CID 134169891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).