2-methylsulfanyloxy-1H-benzimidazole

C8H8N2OS — CID 118398780

IUPAC2-methylsulfanyloxy-1H-benzimidazole
SMILESCSOc1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N2OS/c1-12-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
InChIKeyVQBQWBOBLVOCEF-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.22
Rot. Bonds2

About 2-methylsulfanyloxy-1H-benzimidazole

2-methylsulfanyloxy-1H-benzimidazole (PubChem CID 118398780) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-methylsulfanyloxy-1H-benzimidazole.

Molecular Properties

Compound Name2-methylsulfanyloxy-1H-benzimidazole
PubChem CID118398780
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2-methylsulfanyloxy-1H-benzimidazole
SMILESCSOc1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N2OS/c1-12-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
InChIKeyVQBQWBOBLVOCEF-UHFFFAOYSA-N
XLogP2.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
1-(1H-benzimidazol-2-yloxy)ethanol
CID 164970423
1H-benzimidazol-2-yl dihydrogen phosphate
CID 174491341
2-methyl-1H-benzimidazole
CID 11984
2-(2-bromophenoxy)-1H-benzimidazole
CID 66728072
1-(1H-benzimidazol-2-yloxy)butane-2-thiol
CID 87069794
1H-benzimidazol-2-yl N-aminocarbamate
CID 174816484
1H-benzimidazol-2-yl 2-oxoacetate
CID 87309005
3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
CID 154216054
1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine
CID 64573636
tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
CID 10440546
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyloxy-1H-benzimidazole?
The IUPAC name of 2-methylsulfanyloxy-1H-benzimidazole (CID 118398780) is 2-methylsulfanyloxy-1H-benzimidazole.
What is the SMILES notation for 2-methylsulfanyloxy-1H-benzimidazole?
The canonical SMILES for 2-methylsulfanyloxy-1H-benzimidazole is CSOc1nc2ccccc2[nH]1.
What is the InChIKey of 2-methylsulfanyloxy-1H-benzimidazole?
The InChIKey is VQBQWBOBLVOCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-12-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10).
What are the key properties of 2-methylsulfanyloxy-1H-benzimidazole?
2-methylsulfanyloxy-1H-benzimidazole has a molecular weight of 180.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyloxy-1H-benzimidazole is sourced from PubChem (CID 118398780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).