2-(disulfanyl)-1-methylbenzimidazole

C8H8N2S2 — CID 123710496

IUPAC2-(disulfanyl)-1-methylbenzimidazole
SMILESCn1c(SS)nc2ccccc21
InChIInChI=1S/C8H8N2S2/c1-10-7-5-3-2-4-6(7)9-8(10)12-11/h2-5,11H,1H3
InChIKeyWOCUJANPHBDJQY-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.51
Rot. Bonds1

About 2-(disulfanyl)-1-methylbenzimidazole

2-(disulfanyl)-1-methylbenzimidazole (PubChem CID 123710496) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(disulfanyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(disulfanyl)-1-methylbenzimidazole
PubChem CID123710496
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2-(disulfanyl)-1-methylbenzimidazole
SMILESCn1c(SS)nc2ccccc21
InChIInChI=1S/C8H8N2S2/c1-10-7-5-3-2-4-6(7)9-8(10)12-11/h2-5,11H,1H3
InChIKeyWOCUJANPHBDJQY-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(disulfanyl)-1-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
CID 47094789
2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane
CID 143284322
CID 140577195
CID 140577195
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51209021
2-(1-methylbenzimidazol-2-yl)sulfanyl-3-phenylprop-2-enenitrile
CID 139229310
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
3-(dimethylamino)-1-methylquinoxalin-2-one
CID 1471092
1-methyl-2-(2-phenylethynyl)benzimidazole
CID 11207013
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)-1-methylbenzimidazole?
The IUPAC name of 2-(disulfanyl)-1-methylbenzimidazole (CID 123710496) is 2-(disulfanyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(disulfanyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(disulfanyl)-1-methylbenzimidazole is Cn1c(SS)nc2ccccc21.
What is the InChIKey of 2-(disulfanyl)-1-methylbenzimidazole?
The InChIKey is WOCUJANPHBDJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-10-7-5-3-2-4-6(7)9-8(10)12-11/h2-5,11H,1H3.
What are the key properties of 2-(disulfanyl)-1-methylbenzimidazole?
2-(disulfanyl)-1-methylbenzimidazole has a molecular weight of 196.30 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-1-methylbenzimidazole is sourced from PubChem (CID 123710496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).