2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole

C13H15F3N2S — CID 116626955

IUPAC2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
SMILESCCCc1nc2ccccc2n1CCSC(F)(F)F
InChIInChI=1S/C13H15F3N2S/c1-2-5-12-17-10-6-3-4-7-11(10)18(12)8-9-19-13(14,15)16/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyWKQQGWQSSSAEMR-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.24
Rot. Bonds5

About 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole

2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole (PubChem CID 116626955) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
PubChem CID116626955
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
SMILESCCCc1nc2ccccc2n1CCSC(F)(F)F
InChIInChI=1S/C13H15F3N2S/c1-2-5-12-17-10-6-3-4-7-11(10)18(12)8-9-19-13(14,15)16/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyWKQQGWQSSSAEMR-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
1-benzyl-2-propylbenzimidazole
CID 764560
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
CID 116622472
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
2-heptyl-1-nonylbenzimidazole
CID 139787766

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole?
The IUPAC name of 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole (CID 116626955) is 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole.
What is the SMILES notation for 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole?
The canonical SMILES for 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole is CCCc1nc2ccccc2n1CCSC(F)(F)F.
What is the InChIKey of 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole?
The InChIKey is WKQQGWQSSSAEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-2-5-12-17-10-6-3-4-7-11(10)18(12)8-9-19-13(14,15)16/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole?
2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole has a molecular weight of 288.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole is sourced from PubChem (CID 116626955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).