6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C95H65F21N26O4S — CID 161105801

IUPAC6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CS(=O)(=O)c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.FC(F)(F)c1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ncccn34)n2)cc1.FC(F)(F)c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ncccn34)n2)cc1.OCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H16F3N5O.C19H11F6N5.C19H14F3N5O2S.C19H14F3N5O.C18H10F6N6/c1-29-12-19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;20-18(21,22)11-5-7-12(8-6-11)27-14-4-1-3-13(28-14)15-16(19(23,24)25)29-17-26-9-2-10-30(15)17;1-30(28,29)13-7-5-12(6-8-13)24-15-11-23-10-14(25-15)17-18(19(20,21)22)26-16-4-2-3-9-27(16)17;20-19(21,22)12-5-7-13(8-6-12)24-16-9-23-10-17(26-16)27-15-4-2-1-3-14(15)25-18(27)11-28;19-17(20,21)10-2-4-11(5-3-10)27-13-9-25-8-12(28-13)14-15(18(22,23)24)29-16-26-6-1-7-30(14)16/h2-11H,12H2,1H3,(H,25,27);1-10H,(H,27,28);2-11H,1H3,(H,24,25);1-10,28H,11H2,(H,24,26);1-9H,(H,27,28)
InChIKeyUJALYJHNCQLNDF-UHFFFAOYSA-N
MW2065.77 g/mol
LogP23.29
Rot. Bonds19

About 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 161105801) has the molecular formula C95H65F21N26O4S and a molecular weight of 2065.77 g/mol. Its IUPAC name is 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID161105801
Molecular FormulaC95H65F21N26O4S
Molecular Weight2065.77 g/mol
Exact Mass2064.51
IUPAC Name6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CS(=O)(=O)c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.FC(F)(F)c1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ncccn34)n2)cc1.FC(F)(F)c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ncccn34)n2)cc1.OCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H16F3N5O.C19H11F6N5.C19H14F3N5O2S.C19H14F3N5O.C18H10F6N6/c1-29-12-19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;20-18(21,22)11-5-7-12(8-6-11)27-14-4-1-3-13(28-14)15-16(19(23,24)25)29-17-26-9-2-10-30(15)17;1-30(28,29)13-7-5-12(6-8-13)24-15-11-23-10-14(25-15)17-18(19(20,21)22)26-16-4-2-3-9-27(16)17;20-19(21,22)12-5-7-13(8-6-12)24-16-9-23-10-17(26-16)27-15-4-2-1-3-14(15)25-18(27)11-28;19-17(20,21)10-2-4-11(5-3-10)27-13-9-25-8-12(28-13)14-15(18(22,23)24)29-16-26-6-1-7-30(14)16/h2-11H,12H2,1H3,(H,25,27);1-10H,(H,27,28);2-11H,1H3,(H,24,25);1-10,28H,11H2,(H,24,26);1-9H,(H,27,28)
InChIKeyUJALYJHNCQLNDF-UHFFFAOYSA-N
XLogP23.29
TPSA353.08 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002065.77
LogP ≤ 523.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 161105801) is 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is COCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CS(=O)(=O)c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.FC(F)(F)c1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ncccn34)n2)cc1.FC(F)(F)c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ncccn34)n2)cc1.OCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is UJALYJHNCQLNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O.C19H11F6N5.C19H14F3N5O2S.C19H14F3N5O.C18H10F6N6/c1-29-12-19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;20-18(21,22)11-5-7-12(8-6-11)27-14-4-1-3-13(28-14)15-16(19(23,24)25)29-17-26-9-2-10-30(15)17;1-30(28,29)13-7-5-12(6-8-13)24-15-11-23-10-14(25-15)17-18(19(20,21)22)26-16-4-2-3-9-27(16)17;20-19(21,22)12-5-7-13(8-6-12)24-16-9-23-10-17(26-16)27-15-4-2-1-3-14(15)25-18(27)11-28;19-17(20,21)10-2-4-11(5-3-10)27-13-9-25-8-12(28-13)14-15(18(22,23)24)29-16-26-6-1-7-30(14)16/h2-11H,12H2,1H3,(H,25,27);1-10H,(H,27,28);2-11H,1H3,(H,24,25);1-10,28H,11H2,(H,24,26);1-9H,(H,27,28).
What are the key properties of 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 2065.77 g/mol, XLogP of 23.29, 19 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 161105801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).