7-methylsulfanyl-1H-benzimidazol-4-ol

C8H8N2OS — CID 130770663

IUPAC7-methylsulfanyl-1H-benzimidazol-4-ol
SMILESCSc1ccc(O)c2nc[nH]c12
InChIInChI=1S/C8H8N2OS/c1-12-6-3-2-5(11)7-8(6)10-4-9-7/h2-4,11H,1H3,(H,9,10)
InChIKeyDTNYMWDAVJFKEB-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.99
Rot. Bonds1

About 7-methylsulfanyl-1H-benzimidazol-4-ol

7-methylsulfanyl-1H-benzimidazol-4-ol (PubChem CID 130770663) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 7-methylsulfanyl-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name7-methylsulfanyl-1H-benzimidazol-4-ol
PubChem CID130770663
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name7-methylsulfanyl-1H-benzimidazol-4-ol
SMILESCSc1ccc(O)c2nc[nH]c12
InChIInChI=1S/C8H8N2OS/c1-12-6-3-2-5(11)7-8(6)10-4-9-7/h2-4,11H,1H3,(H,9,10)
InChIKeyDTNYMWDAVJFKEB-UHFFFAOYSA-N
XLogP1.99
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(difluoromethoxy)-1H-benzimidazol-4-ol
CID 130827709
4-fluoro-5-methylsulfanyl-1H-benzimidazole
CID 131073113
(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol
CID 131076999
5-methylsulfanyl-1H-benzimidazole-4-carboxylic acid
CID 131053155
7-hydroxy-1H-benzimidazole-4-carbaldehyde
CID 87374282
ethane;4-methyl-1H-benzimidazol-5-ol
CID 178031880
1H-benzimidazol-4-ol;hydrobromide
CID 23367367
7-nitro-3H-benzimidazol-4-ol
CID 130770665
6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
CID 167090428
4-chloro-2-methylsulfanylphenol
CID 13199339
5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
CID 136608447
7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride
CID 135871441

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-1H-benzimidazol-4-ol?
The IUPAC name of 7-methylsulfanyl-1H-benzimidazol-4-ol (CID 130770663) is 7-methylsulfanyl-1H-benzimidazol-4-ol.
What is the SMILES notation for 7-methylsulfanyl-1H-benzimidazol-4-ol?
The canonical SMILES for 7-methylsulfanyl-1H-benzimidazol-4-ol is CSc1ccc(O)c2nc[nH]c12.
What is the InChIKey of 7-methylsulfanyl-1H-benzimidazol-4-ol?
The InChIKey is DTNYMWDAVJFKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-12-6-3-2-5(11)7-8(6)10-4-9-7/h2-4,11H,1H3,(H,9,10).
What are the key properties of 7-methylsulfanyl-1H-benzimidazol-4-ol?
7-methylsulfanyl-1H-benzimidazol-4-ol has a molecular weight of 180.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-1H-benzimidazol-4-ol is sourced from PubChem (CID 130770663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).