1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole

C10H9F3N2S — CID 134095240

IUPAC1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
SMILESCSc1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C10H9F3N2S/c1-15-8-4-3-6(10(11,12)13)5-7(8)14-9(15)16-2/h3-5H,1-2H3
InChIKeyMLTKFPYLFVHIFG-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.31
Rot. Bonds1

About 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole

1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole (PubChem CID 134095240) has the molecular formula C10H9F3N2S and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
PubChem CID134095240
Molecular FormulaC10H9F3N2S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
SMILESCSc1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C10H9F3N2S/c1-15-8-4-3-6(10(11,12)13)5-7(8)14-9(15)16-2/h3-5H,1-2H3
InChIKeyMLTKFPYLFVHIFG-UHFFFAOYSA-N
XLogP3.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 84617334
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropan-1-ol
CID 84617340
5-bromo-1-methyl-2-methylsulfanylbenzimidazole
CID 83679153
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 115430280
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 81456011
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115501975
1-[4-(2-ethoxyethoxy)-3-methyl-2-pyridinyl]-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 67621672
3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 81456809
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 81455058

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole (CID 134095240) is 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole is CSc1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is MLTKFPYLFVHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S/c1-15-8-4-3-6(10(11,12)13)5-7(8)14-9(15)16-2/h3-5H,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole?
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 246.26 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 134095240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).