bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine

C103H73F21N26O2 — CID 159698464

About bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine

bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine (PubChem CID 159698464) has the molecular formula C103H73F21N26O2 and a molecular weight of 2105.85 g/mol. Its IUPAC name is bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine.

Molecular Properties

• Compound Name: bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
• PubChem CID: 159698464
• Molecular Formula: C103H73F21N26O2
• Molecular Weight: 2105.85 g/mol
• Exact Mass: 2104.61
• IUPAC Name: bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
• SMILES: Cc1nc2ccccc2n1-c1ccc(N)c(Nc2ccc(C(F)(F)F)cc2)n1.Fc1cc(F)c2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Fc1cc(F)c2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)nc4)n3)c2c1.Fc1cc(F)c2nc(C3CC3)n(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)c2c1.Fc1cc(F)c2nc(C3CC3)n(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)c2c1
• InChI: InChI=1S/C21H14F5N5.2C21H15F4N5O.C20H13F5N6.C20H16F3N5/c22-13-7-15(23)19-16(8-13)31(20(30-19)11-1-2-11)18-10-27-9-17(29-18)28-14-5-3-12(4-6-14)21(24,25)26;2*22-12-7-15(23)19-16(8-12)30(20(29-19)11-1-2-11)18-10-26-9-17(28-18)27-13-3-5-14(6-4-13)31-21(24)25;21-11-5-13(22)18-14(6-11)31(19(30-18)10-1-2-10)17-9-26-8-16(29-17)28-12-3-4-15(27-7-12)20(23,24)25;1-12-25-16-4-2-3-5-17(16)28(12)18-11-10-15(24)19(27-18)26-14-8-6-13(7-9-14)20(21,22)23/h3-11H,1-2H2,(H,28,29);2*3-11,21H,1-2H2,(H,27,28);3-10H,1-2H2,(H,28,29);2-11H,24H2,1H3,(H,26,27)
• InChIKey: MXHXCGDJYVPPEK-UHFFFAOYSA-N
• XLogP: 26.57
• TPSA: 322.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2105.85
LogP ≤ 5	26.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?

The IUPAC name of bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine (CID 159698464) is bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine.

What is the SMILES notation for bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?

The canonical SMILES for bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine is Cc1nc2ccccc2n1-c1ccc(N)c(Nc2ccc(C(F)(F)F)cc2)n1.Fc1cc(F)c2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Fc1cc(F)c2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)nc4)n3)c2c1.Fc1cc(F)c2nc(C3CC3)n(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)c2c1.Fc1cc(F)c2nc(C3CC3)n(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)c2c1.

What is the InChIKey of bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?

The InChIKey is MXHXCGDJYVPPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N5.2C21H15F4N5O.C20H13F5N6.C20H16F3N5/c22-13-7-15(23)19-16(8-13)31(20(30-19)11-1-2-11)18-10-27-9-17(29-18)28-14-5-3-12(4-6-14)21(24,25)26;2*22-12-7-15(23)19-16(8-12)30(20(29-19)11-1-2-11)18-10-26-9-17(28-18)27-13-3-5-14(6-4-13)31-21(24)25;21-11-5-13(22)18-14(6-11)31(19(30-18)10-1-2-10)17-9-26-8-16(29-17)28-12-3-4-15(27-7-12)20(23,24)25;1-12-25-16-4-2-3-5-17(16)28(12)18-11-10-15(24)19(27-18)26-14-8-6-13(7-9-14)20(21,22)23/h3-11H,1-2H2,(H,28,29);2*3-11,21H,1-2H2,(H,27,28);3-10H,1-2H2,(H,28,29);2-11H,24H2,1H3,(H,26,27).

What are the key properties of bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?

bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine has a molecular weight of 2105.85 g/mol, XLogP of 26.57, 23 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine);6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-4,6-difluorobenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 159698464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).