5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole

C9H7F3N2OS — CID 175904809

IUPAC5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole
SMILESCS(=O)c1cc2nc[nH]c2cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2OS/c1-16(15)8-3-7-6(13-4-14-7)2-5(8)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyKNEVQGDRQVLZPW-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.32
Rot. Bonds1

About 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole

5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 175904809) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID175904809
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole
SMILESCS(=O)c1cc2nc[nH]c2cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2OS/c1-16(15)8-3-7-6(13-4-14-7)2-5(8)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyKNEVQGDRQVLZPW-UHFFFAOYSA-N
XLogP2.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole
CID 141252314
5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 150752958
ethane;5-fluoro-6-methyl-1H-benzimidazole
CID 162381699
N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515847
6-(trifluoromethoxy)-3H-benzimidazol-5-ol
CID 131326184
6-iodo-4-(trifluoromethyl)-1H-benzimidazole
CID 130981899
6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 174793000
dichlorocobalt;5,6-dimethyl-1H-benzimidazole
CID 160743533
1,5,6,7,8,9-hexahydroimidazo[4,5-h][3]benzazepine
CID 46873419
6-tert-butyl-5-(tritiooxydisulfanyl)-1H-benzimidazole
CID 59043005
6-(difluoromethyl)-5-fluoro-1H-benzimidazole
CID 131115762
3,5-dihydroimidazo[4,5-c]pyridin-6-one
CID 57313405

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole (CID 175904809) is 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole is CS(=O)c1cc2nc[nH]c2cc1C(F)(F)F.
What is the InChIKey of 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is KNEVQGDRQVLZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c1-16(15)8-3-7-6(13-4-14-7)2-5(8)9(10,11)12/h2-4H,1H3,(H,13,14).
What are the key properties of 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole?
5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 248.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 175904809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).