5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole

C17H17F2N3O2S — CID 90275847

IUPAC5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(C)(F)F)ccc2n1C
InChIInChI=1S/C17H17F2N3O2S/c1-4-25(23,24)14-6-5-9-20-15(14)16-21-12-10-11(17(2,18)19)7-8-13(12)22(16)3/h5-10H,4H2,1-3H3
InChIKeyZLRXCVLSJHTHRH-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.54
Rot. Bonds4

About 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole

5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole (PubChem CID 90275847) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
PubChem CID90275847
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(C)(F)F)ccc2n1C
InChIInChI=1S/C17H17F2N3O2S/c1-4-25(23,24)14-6-5-9-20-15(14)16-21-12-10-11(17(2,18)19)7-8-13(12)22(16)3/h5-10H,4H2,1-3H3
InChIKeyZLRXCVLSJHTHRH-UHFFFAOYSA-N
XLogP3.54
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylsulfonyl-2-pyridinyl)-5-methoxy-1-methylbenzimidazole
CID 118581574
2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 57345405
2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 67984963
[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine
CID 160888396
2-(3-ethylsulfonyl-2-pyridinyl)-3,6-dimethyl-4-oxidoimidazo[4,5-b]pyridin-4-ium
CID 90275836
2-(5-chloro-3-ethylsulfonyl-2-pyridinyl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine
CID 118581455
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 90327224
ethylimino-[2-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-1-methylbenzimidazol-5-yl]-oxo-(trifluoromethyl)-λ6-sulfane
CID 166038805
3-ethyl-2-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]pyridine-4-sulfonic acid
CID 151248574
2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine
CID 104740752
1-[6-[5-(1,1-difluoroethyl)-1-methylbenzimidazol-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
CID 146272296
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole (CID 90275847) is 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole is CCS(=O)(=O)c1cccnc1-c1nc2cc(C(C)(F)F)ccc2n1C.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole?
The InChIKey is ZLRXCVLSJHTHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-4-25(23,24)14-6-5-9-20-15(14)16-21-12-10-11(17(2,18)19)7-8-13(12)22(16)3/h5-10H,4H2,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole?
5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole has a molecular weight of 365.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole is sourced from PubChem (CID 90275847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).