2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine)

C57H45F18N15O6S3 — CID 158597214

About 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine)

2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine) (PubChem CID 158597214) has the molecular formula C57H45F18N15O6S3 and a molecular weight of 1474.25 g/mol. Its IUPAC name is 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine).

Molecular Properties

• Compound Name: 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine)
• PubChem CID: 158597214
• Molecular Formula: C57H45F18N15O6S3
• Molecular Weight: 1474.25 g/mol
• Exact Mass: 1473.26
• IUPAC Name: 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine)
• SMILES: CCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)nc(C(F)(F)F)n2C.CCS(=O)(=O)c1cc2nc(C(F)(F)F)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc2nc(C(F)(F)F)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/3C19H15F6N5O2S/c2*1-4-33(31,32)14-6-10-12(30(3)17(28-10)19(23,24)25)5-9(14)16-27-11-7-15(18(20,21)22)26-8-13(11)29(16)2;1-4-33(31,32)14-7-12-10(28-17(30(12)3)19(23,24)25)5-9(14)16-27-11-6-15(18(20,21)22)26-8-13(11)29(16)2/h3*5-8H,4H2,1-3H3
• InChIKey: HVEJCAXVSALSAE-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 248.01 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1474.25
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine)?

The IUPAC name of 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine) (CID 158597214) is 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine).

What is the SMILES notation for 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine)?

The canonical SMILES for 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine) is CCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)nc(C(F)(F)F)n2C.CCS(=O)(=O)c1cc2nc(C(F)(F)F)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc2nc(C(F)(F)F)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine)?

The InChIKey is HVEJCAXVSALSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H15F6N5O2S/c2*1-4-33(31,32)14-6-10-12(30(3)17(28-10)19(23,24)25)5-9(14)16-27-11-7-15(18(20,21)22)26-8-13(11)29(16)2;1-4-33(31,32)14-7-12-10(28-17(30(12)3)19(23,24)25)5-9(14)16-27-11-6-15(18(20,21)22)26-8-13(11)29(16)2/h3*5-8H,4H2,1-3H3.

What are the key properties of 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine)?

2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine) has a molecular weight of 1474.25 g/mol, XLogP of 13.06, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;bis(2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine) is sourced from PubChem (CID 158597214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).