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

C79H44ClF12N13 — CID 160673728

IUPAC2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1-c1nc2ccc(F)cc2[nH]1.Fc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)ncc45)ccc3C(F)(F)F)[nH]c2c1.Fc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)ncc45)ccc3Cl)[nH]c2c1
InChIInChI=1S/C27H14F6N4.C26H14ClF3N4.C26H16F3N5/c28-15-7-9-21-22(12-15)36-25(35-21)18-11-14(6-8-19(18)27(31,32)33)16-4-2-10-37-23(16)13-34-26(37)17-3-1-5-20(29)24(17)30;27-19-8-6-14(11-18(19)25-32-21-9-7-15(28)12-22(21)33-25)16-4-2-10-34-23(16)13-31-26(34)17-3-1-5-20(29)24(17)30;1-14-19(25-32-21-8-7-16(27)11-22(21)33-25)10-15(12-30-14)17-5-3-9-34-23(17)13-31-26(34)18-4-2-6-20(28)24(18)29/h1-13H,(H,35,36);1-13H,(H,32,33);2-13H,1H3,(H,32,33)
InChIKeyRNGNTDJTWOWPCB-UHFFFAOYSA-N
MW1438.74 g/mol
LogP21.26
Rot. Bonds9

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

2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole (PubChem CID 160673728) has the molecular formula C79H44ClF12N13 and a molecular weight of 1438.74 g/mol. Its IUPAC name is 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole
PubChem CID160673728
Molecular FormulaC79H44ClF12N13
Molecular Weight1438.74 g/mol
Exact Mass1437.33
IUPAC Name2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1-c1nc2ccc(F)cc2[nH]1.Fc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)ncc45)ccc3C(F)(F)F)[nH]c2c1.Fc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)ncc45)ccc3Cl)[nH]c2c1
InChIInChI=1S/C27H14F6N4.C26H14ClF3N4.C26H16F3N5/c28-15-7-9-21-22(12-15)36-25(35-21)18-11-14(6-8-19(18)27(31,32)33)16-4-2-10-37-23(16)13-34-26(37)17-3-1-5-20(29)24(17)30;27-19-8-6-14(11-18(19)25-32-21-9-7-15(28)12-22(21)33-25)16-4-2-10-34-23(16)13-31-26(34)17-3-1-5-20(29)24(17)30;1-14-19(25-32-21-8-7-16(27)11-22(21)33-25)10-15(12-30-14)17-5-3-9-34-23(17)13-31-26(34)18-4-2-6-20(28)24(18)29/h1-13H,(H,35,36);1-13H,(H,32,33);2-13H,1H3,(H,32,33)
InChIKeyRNGNTDJTWOWPCB-UHFFFAOYSA-N
XLogP21.26
TPSA150.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001438.74
LogP ≤ 521.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole with MolForge

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Related Compounds

2-[2-Chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 87552033
3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 91099381
2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole
CID 137520893
3-bromo-6-(3-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-8-amine;3-bromo-6-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-4-ylmethyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 157170083
bis(6-chloro-2-[(1S)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole);bis(6-chloro-2-[(1R)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole)
CID 157224700
1-[4,6-Bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
CID 157458102
CID 157458247
CID 157458247
bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole
CID 157477981
N-[(1S)-1-[8-chloro-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[8-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[8-chloro-1-(2-pyrrolidin-1-ylethyl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 157594836
3-Tert-butyl-6-chloroindolizine;3-tert-butyl-2,7-dimethylindolizine;3-tert-butyl-2-(1-fluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-7-fluoroindolizine;3-tert-butylindolizine;3-tert-butyl-2-methylindolizine;3-tert-butyl-5-methylindolizine;3-tert-butyl-7-methylindolizine;3-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine;methane
CID 157733374
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;1,9-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indole;1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;9-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 157781785
N-(2-chloro-6-methylphenyl)-2-(3-chloro-4-pyridinyl)-5-ethylimidazo[1,2-a]pyridin-3-amine;2-(3-chloro-4-pyridinyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;2-(3-chloro-4-pyridinyl)-N-cyclopentyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;2-(3-chloro-4-pyridinyl)-N-(2,6-dimethylphenyl)-5-ethylimidazo[1,2-a]pyridin-3-amine;2-(3-chloro-4-pyridinyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(3-chloro-4-pyridinyl)-N-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 157939657

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole (CID 160673728) is 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole is Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1-c1nc2ccc(F)cc2[nH]1.Fc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)ncc45)ccc3C(F)(F)F)[nH]c2c1.Fc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)ncc45)ccc3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole?
The InChIKey is RNGNTDJTWOWPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F6N4.C26H14ClF3N4.C26H16F3N5/c28-15-7-9-21-22(12-15)36-25(35-21)18-11-14(6-8-19(18)27(31,32)33)16-4-2-10-37-23(16)13-34-26(37)17-3-1-5-20(29)24(17)30;27-19-8-6-14(11-18(19)25-32-21-9-7-15(28)12-22(21)33-25)16-4-2-10-34-23(16)13-31-26(34)17-3-1-5-20(29)24(17)30;1-14-19(25-32-21-8-7-16(27)11-22(21)33-25)10-15(12-30-14)17-5-3-9-34-23(17)13-31-26(34)18-4-2-6-20(28)24(18)29/h1-13H,(H,35,36);1-13H,(H,32,33);2-13H,1H3,(H,32,33).
What are the key properties of 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole?
2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole has a molecular weight of 1438.74 g/mol, XLogP of 21.26, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 160673728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).