3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine

C116H83F24N33O11 — CID 173422544

IUPAC3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2ccc(F)c(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2cccc(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2ncc(F)c(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2nccc(C(N)=O)c2C)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2nccc(C(N)=O)c2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(N)cn1
InChIInChI=1S/C21H14F5N5O2.C21H15F4N5O2.C21H17F3N6O2.C20H13F5N6O2.C20H14F4N6O2.C13H10F3N5O/c1-2-33-10-3-6-15-13(7-10)30-20(21(24,25)26)31(15)16-9-28-14(8-29-16)11-4-5-12(22)17(18(11)23)19(27)32;1-2-32-11-6-7-16-14(8-11)29-20(21(23,24)25)30(16)17-10-27-15(9-28-17)12-4-3-5-13(18(12)22)19(26)31;1-3-32-12-4-5-16-14(8-12)29-20(21(22,23)24)30(16)17-10-27-15(9-28-17)18-11(2)13(19(25)31)6-7-26-18;1-2-33-9-3-4-13-11(5-9)30-19(20(23,24)25)31(13)14-8-27-12(7-28-14)17-16(22)15(18(26)32)10(21)6-29-17;1-2-32-10-3-4-14-12(7-10)29-19(20(22,23)24)30(14)15-9-27-13(8-28-15)17-16(21)11(18(25)31)5-6-26-17;1-22-7-2-3-9-8(4-7)20-12(13(14,15)16)21(9)11-6-18-10(17)5-19-11/h3-9H,2H2,1H3,(H2,27,32);3-10H,2H2,1H3,(H2,26,31);4-10H,3H2,1-2H3,(H2,25,31);3-8H,2H2,1H3,(H2,26,32);3-9H,2H2,1H3,(H2,25,31);2-6H,1H3,(H2,17,18)
InChIKeyDTVLUWCWMWZUEM-UHFFFAOYSA-N
MW2571.11 g/mol
LogP21.75
Rot. Bonds27

About 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine

3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine (PubChem CID 173422544) has the molecular formula C116H83F24N33O11 and a molecular weight of 2571.11 g/mol. Its IUPAC name is 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
PubChem CID173422544
Molecular FormulaC116H83F24N33O11
Molecular Weight2571.11 g/mol
Exact Mass2569.66
IUPAC Name3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2ccc(F)c(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2cccc(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2ncc(F)c(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2nccc(C(N)=O)c2C)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2nccc(C(N)=O)c2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(N)cn1
InChIInChI=1S/C21H14F5N5O2.C21H15F4N5O2.C21H17F3N6O2.C20H13F5N6O2.C20H14F4N6O2.C13H10F3N5O/c1-2-33-10-3-6-15-13(7-10)30-20(21(24,25)26)31(15)16-9-28-14(8-29-16)11-4-5-12(22)17(18(11)23)19(27)32;1-2-32-11-6-7-16-14(8-11)29-20(21(23,24)25)30(16)17-10-27-15(9-28-17)12-4-3-5-13(18(12)22)19(26)31;1-3-32-12-4-5-16-14(8-12)29-20(21(22,23)24)30(16)17-10-27-15(9-28-17)18-11(2)13(19(25)31)6-7-26-18;1-2-33-9-3-4-13-11(5-9)30-19(20(23,24)25)31(13)14-8-27-12(7-28-14)17-16(22)15(18(26)32)10(21)6-29-17;1-2-32-10-3-4-14-12(7-10)29-19(20(22,23)24)30(14)15-9-27-13(8-28-15)17-16(21)11(18(25)31)5-6-26-17;1-22-7-2-3-9-8(4-7)20-12(13(14,15)16)21(9)11-6-18-10(17)5-19-11/h3-9H,2H2,1H3,(H2,27,32);3-10H,2H2,1H3,(H2,26,31);4-10H,3H2,1-2H3,(H2,25,31);3-8H,2H2,1H3,(H2,26,32);3-9H,2H2,1H3,(H2,25,31);2-6H,1H3,(H2,17,18)
InChIKeyDTVLUWCWMWZUEM-UHFFFAOYSA-N
XLogP21.75
TPSA597.12 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002571.11
LogP ≤ 521.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The IUPAC name of 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine (CID 173422544) is 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine is CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2ccc(F)c(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2cccc(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2ncc(F)c(C(N)=O)c2F)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2nccc(C(N)=O)c2C)cn1.CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(-c2nccc(C(N)=O)c2F)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(N)cn1.
What is the InChIKey of 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
The InChIKey is DTVLUWCWMWZUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N5O2.C21H15F4N5O2.C21H17F3N6O2.C20H13F5N6O2.C20H14F4N6O2.C13H10F3N5O/c1-2-33-10-3-6-15-13(7-10)30-20(21(24,25)26)31(15)16-9-28-14(8-29-16)11-4-5-12(22)17(18(11)23)19(27)32;1-2-32-11-6-7-16-14(8-11)29-20(21(23,24)25)30(16)17-10-27-15(9-28-17)12-4-3-5-13(18(12)22)19(26)31;1-3-32-12-4-5-16-14(8-12)29-20(21(22,23)24)30(16)17-10-27-15(9-28-17)18-11(2)13(19(25)31)6-7-26-18;1-2-33-9-3-4-13-11(5-9)30-19(20(23,24)25)31(13)14-8-27-12(7-28-14)17-16(22)15(18(26)32)10(21)6-29-17;1-2-32-10-3-4-14-12(7-10)29-19(20(22,23)24)30(14)15-9-27-13(8-28-15)17-16(21)11(18(25)31)5-6-26-17;1-22-7-2-3-9-8(4-7)20-12(13(14,15)16)21(9)11-6-18-10(17)5-19-11/h3-9H,2H2,1H3,(H2,27,32);3-10H,2H2,1H3,(H2,26,31);4-10H,3H2,1-2H3,(H2,25,31);3-8H,2H2,1H3,(H2,26,32);3-9H,2H2,1H3,(H2,25,31);2-6H,1H3,(H2,17,18).
What are the key properties of 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine?
3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine has a molecular weight of 2571.11 g/mol, XLogP of 21.75, 27 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine is sourced from PubChem (CID 173422544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).