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

C18H16F3N5O2S — CID 121405226

IUPAC2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)ncn2C
InChIInChI=1S/C18H16F3N5O2S/c1-4-29(27,28)15-7-13-11(23-9-25(13)2)5-10(15)17-24-12-6-16(18(19,20)21)22-8-14(12)26(17)3/h5-9H,4H2,1-3H3
InChIKeySCYMOAYJQHOBJI-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.33
Rot. Bonds3

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

2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 121405226) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID121405226
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Name2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)ncn2C
InChIInChI=1S/C18H16F3N5O2S/c1-4-29(27,28)15-7-13-11(23-9-25(13)2)5-10(15)17-24-12-6-16(18(19,20)21)22-8-14(12)26(17)3/h5-9H,4H2,1-3H3
InChIKeySCYMOAYJQHOBJI-UHFFFAOYSA-N
XLogP3.33
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.33
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-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 121405226) is 2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc2c(cc1-c1nc3cc(C(F)(F)F)ncc3n1C)ncn2C.
What is the InChIKey of 2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is SCYMOAYJQHOBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-4-29(27,28)15-7-13-11(23-9-25(13)2)5-10(15)17-24-12-6-16(18(19,20)21)22-8-14(12)26(17)3/h5-9H,4H2,1-3H3.
What are the key properties of 2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(6-ethylsulfonyl-1-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 423.42 g/mol, XLogP of 3.33, 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-methylbenzimidazol-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 121405226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).