6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C99H80F15N27OS — CID 161191660

IUPAC6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCCCCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCOc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCSc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ncccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H20F3N5.C20H16F3N5O.C20H16F3N5S.C19H15F3N6.C18H13F3N6/c1-2-3-8-20-28-17-6-4-5-7-18(17)30(20)21-14-26-13-19(29-21)27-16-11-9-15(10-12-16)22(23,24)25;2*1-2-29-19-26-15-5-3-4-6-16(15)28(19)18-12-24-11-17(27-18)25-14-9-7-13(8-10-14)20(21,22)23;1-2-16-27-18-14(4-3-9-24-18)28(16)17-11-23-10-15(26-17)25-13-7-5-12(6-8-13)19(20,21)22;1-11-24-17-14(3-2-8-23-17)27(11)16-10-22-9-15(26-16)25-13-6-4-12(5-7-13)18(19,20)21/h4-7,9-14H,2-3,8H2,1H3,(H,27,29);2*3-12H,2H2,1H3,(H,25,27);3-11H,2H2,1H3,(H,25,26);2-10H,1H3,(H,25,26)
InChIKeyUTUMFUFZYPIHON-UHFFFAOYSA-N
MW1980.95 g/mol
LogP25.40
Rot. Bonds23

About 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 161191660) has the molecular formula C99H80F15N27OS and a molecular weight of 1980.95 g/mol. Its IUPAC name is 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID161191660
Molecular FormulaC99H80F15N27OS
Molecular Weight1980.95 g/mol
Exact Mass1979.65
IUPAC Name6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCCCCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCOc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCSc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ncccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H20F3N5.C20H16F3N5O.C20H16F3N5S.C19H15F3N6.C18H13F3N6/c1-2-3-8-20-28-17-6-4-5-7-18(17)30(20)21-14-26-13-19(29-21)27-16-11-9-15(10-12-16)22(23,24)25;2*1-2-29-19-26-15-5-3-4-6-16(15)28(19)18-12-24-11-17(27-18)25-14-9-7-13(8-10-14)20(21,22)23;1-2-16-27-18-14(4-3-9-24-18)28(16)17-11-23-10-15(26-17)25-13-7-5-12(6-8-13)19(20,21)22;1-11-24-17-14(3-2-8-23-17)27(11)16-10-22-9-15(26-16)25-13-6-4-12(5-7-13)18(19,20)21/h4-7,9-14H,2-3,8H2,1H3,(H,27,29);2*3-12H,2H2,1H3,(H,25,27);3-11H,2H2,1H3,(H,25,26);2-10H,1H3,(H,25,26)
InChIKeyUTUMFUFZYPIHON-UHFFFAOYSA-N
XLogP25.40
TPSA313.16 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001980.95
LogP ≤ 525.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 161191660) is 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is CCCCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCOc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCSc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ncccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is UTUMFUFZYPIHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5.C20H16F3N5O.C20H16F3N5S.C19H15F3N6.C18H13F3N6/c1-2-3-8-20-28-17-6-4-5-7-18(17)30(20)21-14-26-13-19(29-21)27-16-11-9-15(10-12-16)22(23,24)25;2*1-2-29-19-26-15-5-3-4-6-16(15)28(19)18-12-24-11-17(27-18)25-14-9-7-13(8-10-14)20(21,22)23;1-2-16-27-18-14(4-3-9-24-18)28(16)17-11-23-10-15(26-17)25-13-7-5-12(6-8-13)19(20,21)22;1-11-24-17-14(3-2-8-23-17)27(11)16-10-22-9-15(26-16)25-13-6-4-12(5-7-13)18(19,20)21/h4-7,9-14H,2-3,8H2,1H3,(H,27,29);2*3-12H,2H2,1H3,(H,25,27);3-11H,2H2,1H3,(H,25,26);2-10H,1H3,(H,25,26).
What are the key properties of 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 1980.95 g/mol, XLogP of 25.40, 23 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 161191660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).