2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol

C11H14N2OS — CID 116852698

IUPAC2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol
SMILESCc1nc2cc(SCCO)ccc2n1C
InChIInChI=1S/C11H14N2OS/c1-8-12-10-7-9(15-6-5-14)3-4-11(10)13(8)2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyDDMALCRVFIOPEF-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.97
Rot. Bonds3

About 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol

2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol (PubChem CID 116852698) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol
PubChem CID116852698
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol
SMILESCc1nc2cc(SCCO)ccc2n1C
InChIInChI=1S/C11H14N2OS/c1-8-12-10-7-9(15-6-5-14)3-4-11(10)13(8)2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyDDMALCRVFIOPEF-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-dimethylbenzimidazol-5-yl)sulfanylpropanoic acid
CID 116852451
3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol
CID 116952870
3-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-1-ol
CID 115216675
amino-(1,2-dimethylbenzimidazol-5-yl)methanol
CID 116939675
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
1,2-dimethylbenzimidazole-5-thiol
CID 83529809
N-[(2S)-1-methoxypropan-2-yl]-1,2-dimethylbenzimidazol-5-amine
CID 99699026
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol?
The IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol (CID 116852698) is 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol.
What is the SMILES notation for 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol?
The canonical SMILES for 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol is Cc1nc2cc(SCCO)ccc2n1C.
What is the InChIKey of 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol?
The InChIKey is DDMALCRVFIOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-12-10-7-9(15-6-5-14)3-4-11(10)13(8)2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol?
2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol has a molecular weight of 222.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol is sourced from PubChem (CID 116852698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).