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

C19H15F6N5O2S — CID 121405248

IUPAC2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc2nc(C(F)(F)F)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H15F6N5O2S/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/h5-8H,4H2,1-3H3
InChIKeyLHYHXTWSKOJEMA-UHFFFAOYSA-N
MW491.42 g/mol
LogP4.35
Rot. Bonds3

About 2-[6-ethylsulfonyl-3-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 (PubChem CID 121405248) has the molecular formula C19H15F6N5O2S and a molecular weight of 491.42 g/mol. Its IUPAC name is 2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID121405248
Molecular FormulaC19H15F6N5O2S
Molecular Weight491.42 g/mol
Exact Mass491.09
IUPAC Name2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc2nc(C(F)(F)F)n(C)c2cc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H15F6N5O2S/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/h5-8H,4H2,1-3H3
InChIKeyLHYHXTWSKOJEMA-UHFFFAOYSA-N
XLogP4.35
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 121405248) is 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-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is 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-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is LHYHXTWSKOJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N5O2S/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/h5-8H,4H2,1-3H3.
What are the key properties of 2-[6-ethylsulfonyl-3-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 has a molecular weight of 491.42 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 121405248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).