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

C58H51F18N15O6S3 — CID 157490815

IUPAC2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane
SMILESC.C.CCS(=O)(=O)c1cc2[nH]c(C(F)(F)F)nc2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.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
InChIInChI=1S/2C19H15F6N5O2S.C18H13F6N5O2S.2CH4/c1-4-33(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;1-3-32(30,31)13-5-10-9(27-16(28-10)18(22,23)24)4-8(13)15-26-11-6-14(17(19,20)21)25-7-12(11)29(15)2;;/h2*5-8H,4H2,1-3H3;4-7H,3H2,1-2H3,(H,27,28);2*1H4
InChIKeyBXGCZMZMLTVUSP-UHFFFAOYSA-N
MW1492.31 g/mol
LogP14.32
Rot. Bonds9

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

2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane (PubChem CID 157490815) has the molecular formula C58H51F18N15O6S3 and a molecular weight of 1492.31 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;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane.

Molecular Properties

Compound Name2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane
PubChem CID157490815
Molecular FormulaC58H51F18N15O6S3
Molecular Weight1492.31 g/mol
Exact Mass1491.30
IUPAC Name2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane
SMILESC.C.CCS(=O)(=O)c1cc2[nH]c(C(F)(F)F)nc2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.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
InChIInChI=1S/2C19H15F6N5O2S.C18H13F6N5O2S.2CH4/c1-4-33(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;1-3-32(30,31)13-5-10-9(27-16(28-10)18(22,23)24)4-8(13)15-26-11-6-14(17(19,20)21)25-7-12(11)29(15)2;;/h2*5-8H,4H2,1-3H3;4-7H,3H2,1-2H3,(H,27,28);2*1H4
InChIKeyBXGCZMZMLTVUSP-UHFFFAOYSA-N
XLogP14.32
TPSA258.87 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001492.31
LogP ≤ 514.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane 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-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane?
The IUPAC name of 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane (CID 157490815) is 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane.
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;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane?
The canonical SMILES for 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane is C.C.CCS(=O)(=O)c1cc2[nH]c(C(F)(F)F)nc2cc1-c1nc2cc(C(F)(F)F)ncc2n1C.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.
What is the InChIKey of 2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane?
The InChIKey is BXGCZMZMLTVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15F6N5O2S.C18H13F6N5O2S.2CH4/c1-4-33(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;1-3-32(30,31)13-5-10-9(27-16(28-10)18(22,23)24)4-8(13)15-26-11-6-14(17(19,20)21)25-7-12(11)29(15)2;;/h2*5-8H,4H2,1-3H3;4-7H,3H2,1-2H3,(H,27,28);2*1H4.
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;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane?
2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane has a molecular weight of 1492.31 g/mol, XLogP of 14.32, 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-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane is sourced from PubChem (CID 157490815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).