2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole

C28H17F5N4 — CID 146771255

IUPAC2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)cnc45)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C28H17F5N4/c1-15-7-10-22-23(12-15)36-26(35-22)19-13-16(8-9-20(19)28(31,32)33)17-5-3-11-37-24(14-34-27(17)37)18-4-2-6-21(29)25(18)30/h2-14H,1H3,(H,35,36)
InChIKeyRRRJVJQCGGEKMW-UHFFFAOYSA-N
MW504.46 g/mol
LogP7.82
Rot. Bonds3

About 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole

2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole (PubChem CID 146771255) has the molecular formula C28H17F5N4 and a molecular weight of 504.46 g/mol. Its IUPAC name is 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole
PubChem CID146771255
Molecular FormulaC28H17F5N4
Molecular Weight504.46 g/mol
Exact Mass504.14
IUPAC Name2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)cnc45)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C28H17F5N4/c1-15-7-10-22-23(12-15)36-26(35-22)19-13-16(8-9-20(19)28(31,32)33)17-5-3-11-37-24(14-34-27(17)37)18-4-2-6-21(29)25(18)30/h2-14H,1H3,(H,35,36)
InChIKeyRRRJVJQCGGEKMW-UHFFFAOYSA-N
XLogP7.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.46
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole (CID 146771255) is 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)cnc45)ccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole?
The InChIKey is RRRJVJQCGGEKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F5N4/c1-15-7-10-22-23(12-15)36-26(35-22)19-13-16(8-9-20(19)28(31,32)33)17-5-3-11-37-24(14-34-27(17)37)18-4-2-6-21(29)25(18)30/h2-14H,1H3,(H,35,36).
What are the key properties of 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole?
2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole has a molecular weight of 504.46 g/mol, XLogP of 7.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 146771255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).