2-(2-propylsulfanylbenzimidazol-1-yl)ethanol

C12H16N2OS — CID 2772462

IUPAC2-(2-propylsulfanylbenzimidazol-1-yl)ethanol
SMILESCCCSc1nc2ccccc2n1CCO
InChIInChI=1S/C12H16N2OS/c1-2-9-16-12-13-10-5-3-4-6-11(10)14(12)7-8-15/h3-6,15H,2,7-9H2,1H3
InChIKeyWKTYMMQGLZBPDC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.53
Rot. Bonds5

About 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol

2-(2-propylsulfanylbenzimidazol-1-yl)ethanol (PubChem CID 2772462) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-propylsulfanylbenzimidazol-1-yl)ethanol
PubChem CID2772462
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(2-propylsulfanylbenzimidazol-1-yl)ethanol
SMILESCCCSc1nc2ccccc2n1CCO
InChIInChI=1S/C12H16N2OS/c1-2-9-16-12-13-10-5-3-4-6-11(10)14(12)7-8-15/h3-6,15H,2,7-9H2,1H3
InChIKeyWKTYMMQGLZBPDC-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol (CID 2772462) is 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol is CCCSc1nc2ccccc2n1CCO.
What is the InChIKey of 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol?
The InChIKey is WKTYMMQGLZBPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-9-16-12-13-10-5-3-4-6-11(10)14(12)7-8-15/h3-6,15H,2,7-9H2,1H3.
What are the key properties of 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol?
2-(2-propylsulfanylbenzimidazol-1-yl)ethanol has a molecular weight of 236.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfanylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 2772462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).