3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol

C10H12N2O2S — CID 2827673

IUPAC3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
SMILESOCC(O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N2O2S/c13-5-7(14)6-15-10-11-8-3-1-2-4-9(8)12-10/h1-4,7,13-14H,5-6H2,(H,11,12)
InChIKeyHYOLZULDHWDOKF-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.01
Rot. Bonds4

About 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol

3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol (PubChem CID 2827673) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
PubChem CID2827673
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
SMILESOCC(O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N2O2S/c13-5-7(14)6-15-10-11-8-3-1-2-4-9(8)12-10/h1-4,7,13-14H,5-6H2,(H,11,12)
InChIKeyHYOLZULDHWDOKF-UHFFFAOYSA-N
XLogP1.01
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-benzimidazol-2-ylsulfanyl)-3-(propan-2-ylamino)propan-2-ol
CID 43166360
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propylamino)propan-2-ol
CID 43166361
1-(1H-benzimidazol-2-ylsulfanyl)-4-hydroperoxy-5-methylhex-5-en-2-ol
CID 58091790
1-(1H-benzimidazol-2-ylsulfanyl)-3-butoxypropan-2-ol
CID 107264062
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
[3-(1H-benzimidazol-2-ylsulfanyl)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 59319740
3-(1H-benzimidazol-2-ylsulfanyl)-2-methylpropanenitrile
CID 43242882
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64621295

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol (CID 2827673) is 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol is OCC(O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol?
The InChIKey is HYOLZULDHWDOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-5-7(14)6-15-10-11-8-3-1-2-4-9(8)12-10/h1-4,7,13-14H,5-6H2,(H,11,12).
What are the key properties of 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol?
3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol has a molecular weight of 224.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol is sourced from PubChem (CID 2827673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).