2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole

C16H14F3N3O3S — CID 90324096

IUPAC2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(OC(F)(F)F)ccc2n1C
InChIInChI=1S/C16H14F3N3O3S/c1-3-26(23,24)13-5-4-8-20-14(13)15-21-11-9-10(25-16(17,18)19)6-7-12(11)22(15)2/h4-9H,3H2,1-2H3
InChIKeyWPGWBXFUJZWMLK-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.33
Rot. Bonds4

About 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole

2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole (PubChem CID 90324096) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole
PubChem CID90324096
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(OC(F)(F)F)ccc2n1C
InChIInChI=1S/C16H14F3N3O3S/c1-3-26(23,24)13-5-4-8-20-14(13)15-21-11-9-10(25-16(17,18)19)6-7-12(11)22(15)2/h4-9H,3H2,1-2H3
InChIKeyWPGWBXFUJZWMLK-UHFFFAOYSA-N
XLogP3.33
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole?
The IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole (CID 90324096) is 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole.
What is the SMILES notation for 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole?
The canonical SMILES for 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole is CCS(=O)(=O)c1cccnc1-c1nc2cc(OC(F)(F)F)ccc2n1C.
What is the InChIKey of 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole?
The InChIKey is WPGWBXFUJZWMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-3-26(23,24)13-5-4-8-20-14(13)15-21-11-9-10(25-16(17,18)19)6-7-12(11)22(15)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole?
2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole has a molecular weight of 385.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-2-pyridinyl)-1-methyl-5-(trifluoromethoxy)benzimidazole is sourced from PubChem (CID 90324096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).