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

C56H52F9N15O6S3 — CID 162043976

IUPAC2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc2[nH]c(C)nc2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)nc(C)n2C.CCS(=O)(=O)c1cc2nc(C)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/2C19H18F3N5O2S.C18H16F3N5O2S/c1-5-30(28,29)16-7-12-14(26(3)10(2)24-12)6-11(16)18-25-13-8-17(19(20,21)22)23-9-15(13)27(18)4;1-5-30(28,29)16-8-14-12(24-10(2)26(14)3)6-11(16)18-25-13-7-17(19(20,21)22)23-9-15(13)27(18)4;1-4-29(27,28)15-6-12-11(23-9(2)24-12)5-10(15)17-25-13-7-16(18(19,20)21)22-8-14(13)26(17)3/h2*6-9H,5H2,1-4H3;5-8H,4H2,1-3H3,(H,23,24)
InChIKeyYXQLHRGPQRNTRO-UHFFFAOYSA-N
MW1298.31 g/mol
LogP10.92
Rot. Bonds9

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

2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 162043976) has the molecular formula C56H52F9N15O6S3 and a molecular weight of 1298.31 g/mol. Its IUPAC name is 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID162043976
Molecular FormulaC56H52F9N15O6S3
Molecular Weight1298.31 g/mol
Exact Mass1297.32
IUPAC Name2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc2[nH]c(C)nc2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)nc(C)n2C.CCS(=O)(=O)c1cc2nc(C)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/2C19H18F3N5O2S.C18H16F3N5O2S/c1-5-30(28,29)16-7-12-14(26(3)10(2)24-12)6-11(16)18-25-13-8-17(19(20,21)22)23-9-15(13)27(18)4;1-5-30(28,29)16-8-14-12(24-10(2)26(14)3)6-11(16)18-25-13-7-17(19(20,21)22)23-9-15(13)27(18)4;1-4-29(27,28)15-6-12-11(23-9(2)24-12)5-10(15)17-25-13-7-16(18(19,20)21)22-8-14(13)26(17)3/h2*6-9H,5H2,1-4H3;5-8H,4H2,1-3H3,(H,23,24)
InChIKeyYXQLHRGPQRNTRO-UHFFFAOYSA-N
XLogP10.92
TPSA258.87 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001298.31
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

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Related Compounds

4-Ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]benzene-1,2-diamine
CID 121397975
2-(6-Ethylsulfonyl-3-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121397983
2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405224
2-(6-ethylsulfonyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405225
2-(6-Ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405226
2-[6-Ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405248
2-[6-Ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405249
2-(6-Ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405250
2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405251
2-(6-Ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405252
5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2,1,3-benzothiadiazole
CID 121405253
2-(6-ethylsulfonyl-2-phenyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405300

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 162043976) is 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc2[nH]c(C)nc2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)nc(C)n2C.CCS(=O)(=O)c1cc2nc(C)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is YXQLHRGPQRNTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18F3N5O2S.C18H16F3N5O2S/c1-5-30(28,29)16-7-12-14(26(3)10(2)24-12)6-11(16)18-25-13-8-17(19(20,21)22)23-9-15(13)27(18)4;1-5-30(28,29)16-8-14-12(24-10(2)26(14)3)6-11(16)18-25-13-7-17(19(20,21)22)23-9-15(13)27(18)4;1-4-29(27,28)15-6-12-11(23-9(2)24-12)5-10(15)17-25-13-7-16(18(19,20)21)22-8-14(13)26(17)3/h2*6-9H,5H2,1-4H3;5-8H,4H2,1-3H3,(H,23,24).
What are the key properties of 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 1298.31 g/mol, XLogP of 10.92, 9 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2,3-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-(6-ethylsulfonyl-2-methyl-1H-benzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 162043976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).