2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole

C15H13F3N4O2S — CID 57345405

IUPAC2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole
SMILESCCS(=O)(=O)c1cncnc1-c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C15H13F3N4O2S/c1-3-25(23,24)12-7-19-8-20-13(12)14-21-10-6-9(15(16,17)18)4-5-11(10)22(14)2/h4-8H,3H2,1-2H3
InChIKeyCRUGBNJWPGCJIB-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.84
Rot. Bonds3

About 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole

2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole (PubChem CID 57345405) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole
PubChem CID57345405
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole
SMILESCCS(=O)(=O)c1cncnc1-c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C15H13F3N4O2S/c1-3-25(23,24)12-7-19-8-20-13(12)14-21-10-6-9(15(16,17)18)4-5-11(10)22(14)2/h4-8H,3H2,1-2H3
InChIKeyCRUGBNJWPGCJIB-UHFFFAOYSA-N
XLogP2.84
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
CID 90275847
2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 67984963
6-cyclopropyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 118973507
3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 175931774
6-(difluoromethylsulfinyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 137403869
2-[3-ethylsulfonyl-5-(trimethoxymethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118570981
2-[3-ethylsulfonyl-5-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134521194
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
6-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine
CID 121290916
2-ethyl-2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]butanenitrile
CID 142414423
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole (CID 57345405) is 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole is CCS(=O)(=O)c1cncnc1-c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is CRUGBNJWPGCJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c1-3-25(23,24)12-7-19-8-20-13(12)14-21-10-6-9(15(16,17)18)4-5-11(10)22(14)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole?
2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 370.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 57345405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).