1-(prop-2-enyldisulfanyl)benzimidazole

C10H10N2S2 — CID 87577952

IUPAC1-(prop-2-enyldisulfanyl)benzimidazole
SMILESC=CCSSn1cnc2ccccc21
InChIInChI=1S/C10H10N2S2/c1-2-7-13-14-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2
InChIKeyWJHQLKVCVHSSON-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.37
Rot. Bonds4

About 1-(prop-2-enyldisulfanyl)benzimidazole

1-(prop-2-enyldisulfanyl)benzimidazole (PubChem CID 87577952) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(prop-2-enyldisulfanyl)benzimidazole.

Molecular Properties

Compound Name1-(prop-2-enyldisulfanyl)benzimidazole
PubChem CID87577952
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name1-(prop-2-enyldisulfanyl)benzimidazole
SMILESC=CCSSn1cnc2ccccc21
InChIInChI=1S/C10H10N2S2/c1-2-7-13-14-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2
InChIKeyWJHQLKVCVHSSON-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enyldisulfanyl)benzimidazole?
The IUPAC name of 1-(prop-2-enyldisulfanyl)benzimidazole (CID 87577952) is 1-(prop-2-enyldisulfanyl)benzimidazole.
What is the SMILES notation for 1-(prop-2-enyldisulfanyl)benzimidazole?
The canonical SMILES for 1-(prop-2-enyldisulfanyl)benzimidazole is C=CCSSn1cnc2ccccc21.
What is the InChIKey of 1-(prop-2-enyldisulfanyl)benzimidazole?
The InChIKey is WJHQLKVCVHSSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-2-7-13-14-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2.
What are the key properties of 1-(prop-2-enyldisulfanyl)benzimidazole?
1-(prop-2-enyldisulfanyl)benzimidazole has a molecular weight of 222.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enyldisulfanyl)benzimidazole is sourced from PubChem (CID 87577952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).