1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile

C96H76F8N30O5 — CID 159508021

IUPAC1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
SMILESCNC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.CNc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.CNc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1.N#Cc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H18N6O.C19H15F3N6O.C19H11F3N6O.C19H16F2N6O.C19H16N6O/c1-13-23-16-5-3-4-6-17(16)26(13)19-12-22-11-18(25-19)24-15-9-7-14(8-10-15)20(27)21-2;1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-12-6-8-13(9-7-12)29-19(20,21)22;20-19(21,22)29-13-7-5-12(6-8-13)25-16-10-24-11-18(27-16)28-15-4-2-1-3-14(15)26-17(28)9-23;1-22-19-25-14-4-2-3-5-15(14)27(19)17-11-23-10-16(26-17)24-12-6-8-13(9-7-12)28-18(20)21;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26/h3-12H,1-2H3,(H,21,27)(H,24,25);2-11H,1H3,(H,23,26)(H,25,27);1-8,10-11H,(H,25,27);2-11,18H,1H3,(H,22,25)(H,24,26);2-11H,1H3,(H2,20,26)(H,23,24)
InChIKeyMAFYQPHRFZYNCZ-UHFFFAOYSA-N
MW1881.85 g/mol
LogP19.22
Rot. Bonds23

About 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile

1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile (PubChem CID 159508021) has the molecular formula C96H76F8N30O5 and a molecular weight of 1881.85 g/mol. Its IUPAC name is 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
PubChem CID159508021
Molecular FormulaC96H76F8N30O5
Molecular Weight1881.85 g/mol
Exact Mass1880.65
IUPAC Name1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
SMILESCNC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.CNc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.CNc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1.N#Cc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H18N6O.C19H15F3N6O.C19H11F3N6O.C19H16F2N6O.C19H16N6O/c1-13-23-16-5-3-4-6-17(16)26(13)19-12-22-11-18(25-19)24-15-9-7-14(8-10-15)20(27)21-2;1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-12-6-8-13(9-7-12)29-19(20,21)22;20-19(21,22)29-13-7-5-12(6-8-13)25-16-10-24-11-18(27-16)28-15-4-2-1-3-14(15)26-17(28)9-23;1-22-19-25-14-4-2-3-5-15(14)27(19)17-11-23-10-16(26-17)24-12-6-8-13(9-7-12)28-18(20)21;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26/h3-12H,1-2H3,(H,21,27)(H,24,25);2-11H,1H3,(H,23,26)(H,25,27);1-8,10-11H,(H,25,27);2-11,18H,1H3,(H,22,25)(H,24,26);2-11H,1H3,(H2,20,26)(H,23,24)
InChIKeyMAFYQPHRFZYNCZ-UHFFFAOYSA-N
XLogP19.22
TPSA425.88 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms139
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001881.85
LogP ≤ 519.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile?
The IUPAC name of 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile (CID 159508021) is 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile.
What is the SMILES notation for 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile?
The canonical SMILES for 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile is CNC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.CNc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.CNc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1.N#Cc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile?
The InChIKey is MAFYQPHRFZYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C19H15F3N6O.C19H11F3N6O.C19H16F2N6O.C19H16N6O/c1-13-23-16-5-3-4-6-17(16)26(13)19-12-22-11-18(25-19)24-15-9-7-14(8-10-15)20(27)21-2;1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-12-6-8-13(9-7-12)29-19(20,21)22;20-19(21,22)29-13-7-5-12(6-8-13)25-16-10-24-11-18(27-16)28-15-4-2-1-3-14(15)26-17(28)9-23;1-22-19-25-14-4-2-3-5-15(14)27(19)17-11-23-10-16(26-17)24-12-6-8-13(9-7-12)28-18(20)21;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26/h3-12H,1-2H3,(H,21,27)(H,24,25);2-11H,1H3,(H,23,26)(H,25,27);1-8,10-11H,(H,25,27);2-11,18H,1H3,(H,22,25)(H,24,26);2-11H,1H3,(H2,20,26)(H,23,24).
What are the key properties of 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile?
1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile has a molecular weight of 1881.85 g/mol, XLogP of 19.22, 23 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile is sourced from PubChem (CID 159508021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).