1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole

C39H25F6N5 — CID 87418831

IUPAC1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1cc(-c2ccccc2)c2c(c1)ncn2-c1ccccc1.FC(F)(F)c1ccc2c(c1)nc(-c1cccnc1)n2-c1ccccc1
InChIInChI=1S/C20H13F3N2.C19H12F3N3/c21-20(22,23)15-11-17(14-7-3-1-4-8-14)19-18(12-15)24-13-25(19)16-9-5-2-6-10-16;20-19(21,22)14-8-9-17-16(11-14)24-18(13-5-4-10-23-12-13)25(17)15-6-2-1-3-7-15/h1-13H;1-12H
InChIKeyNYTMXSIGWFRDSN-UHFFFAOYSA-N
MW677.65 g/mol
LogP10.82
Rot. Bonds4

About 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole

1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 87418831) has the molecular formula C39H25F6N5 and a molecular weight of 677.65 g/mol. Its IUPAC name is 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
PubChem CID87418831
Molecular FormulaC39H25F6N5
Molecular Weight677.65 g/mol
Exact Mass677.20
IUPAC Name1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1cc(-c2ccccc2)c2c(c1)ncn2-c1ccccc1.FC(F)(F)c1ccc2c(c1)nc(-c1cccnc1)n2-c1ccccc1
InChIInChI=1S/C20H13F3N2.C19H12F3N3/c21-20(22,23)15-11-17(14-7-3-1-4-8-14)19-18(12-15)24-13-25(19)16-9-5-2-6-10-16;20-19(21,22)14-8-9-17-16(11-14)24-18(13-5-4-10-23-12-13)25(17)15-6-2-1-3-7-15/h1-13H;1-12H
InChIKeyNYTMXSIGWFRDSN-UHFFFAOYSA-N
XLogP10.82
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.65
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole (CID 87418831) is 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1cc(-c2ccccc2)c2c(c1)ncn2-c1ccccc1.FC(F)(F)c1ccc2c(c1)nc(-c1cccnc1)n2-c1ccccc1.
What is the InChIKey of 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is NYTMXSIGWFRDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2.C19H12F3N3/c21-20(22,23)15-11-17(14-7-3-1-4-8-14)19-18(12-15)24-13-25(19)16-9-5-2-6-10-16;20-19(21,22)14-8-9-17-16(11-14)24-18(13-5-4-10-23-12-13)25(17)15-6-2-1-3-7-15/h1-13H;1-12H.
What are the key properties of 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole?
1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 677.65 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 87418831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).