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

C19H18F3N5O2S — CID 121405250

IUPAC2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)nc(C)n2C
InChIInChI=1S/C19H18F3N5O2S/c1-5-30(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/h6-9H,5H2,1-4H3
InChIKeyCYYKZRVLYRIFKL-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.64
Rot. Bonds3

About 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-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 (PubChem CID 121405250) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-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
PubChem CID121405250
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)nc(C)n2C
InChIInChI=1S/C19H18F3N5O2S/c1-5-30(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/h6-9H,5H2,1-4H3
InChIKeyCYYKZRVLYRIFKL-UHFFFAOYSA-N
XLogP3.64
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 121405250) is 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-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?
The canonical SMILES for 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-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)n2C.
What is the InChIKey of 2-(6-ethylsulfonyl-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is CYYKZRVLYRIFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-5-30(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/h6-9H,5H2,1-4H3.
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-1,2-dimethylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 437.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 121405250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).