(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol

C9H10N2OS — CID 131076999

IUPAC(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol
SMILESCSc1ccc2[nH]cnc2c1CO
InChIInChI=1S/C9H10N2OS/c1-13-8-3-2-7-9(6(8)4-12)11-5-10-7/h2-3,5,12H,4H2,1H3,(H,10,11)
InChIKeyIPAVTROEHHIHTF-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.78
Rot. Bonds2

About (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol

(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol (PubChem CID 131076999) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol
PubChem CID131076999
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol
SMILESCSc1ccc2[nH]cnc2c1CO
InChIInChI=1S/C9H10N2OS/c1-13-8-3-2-7-9(6(8)4-12)11-5-10-7/h2-3,5,12H,4H2,1H3,(H,10,11)
InChIKeyIPAVTROEHHIHTF-UHFFFAOYSA-N
XLogP1.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol?
The IUPAC name of (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol (CID 131076999) is (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol.
What is the SMILES notation for (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol?
The canonical SMILES for (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol is CSc1ccc2[nH]cnc2c1CO.
What is the InChIKey of (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol?
The InChIKey is IPAVTROEHHIHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-13-8-3-2-7-9(6(8)4-12)11-5-10-7/h2-3,5,12H,4H2,1H3,(H,10,11).
What are the key properties of (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol?
(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol has a molecular weight of 194.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanyl-1H-benzimidazol-4-yl)methanol is sourced from PubChem (CID 131076999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).