3-prop-2-enyl-1H-benzimidazole-2-thione

C10H10N2S — CID 4189349

IUPAC3-prop-2-enyl-1H-benzimidazole-2-thione
SMILESC=CCn1c(=S)[nH]c2ccccc21
InChIInChI=1S/C10H10N2S/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h2-6H,1,7H2,(H,11,13)
InChIKeyJTRIXERILCLYFM-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.88
Rot. Bonds2

About 3-prop-2-enyl-1H-benzimidazole-2-thione

3-prop-2-enyl-1H-benzimidazole-2-thione (PubChem CID 4189349) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-prop-2-enyl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-prop-2-enyl-1H-benzimidazole-2-thione
PubChem CID4189349
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-prop-2-enyl-1H-benzimidazole-2-thione
SMILESC=CCn1c(=S)[nH]c2ccccc21
InChIInChI=1S/C10H10N2S/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h2-6H,1,7H2,(H,11,13)
InChIKeyJTRIXERILCLYFM-UHFFFAOYSA-N
XLogP2.88
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enyl-1H-benzimidazole-2-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1H-benzimidazole-2-thione?
The IUPAC name of 3-prop-2-enyl-1H-benzimidazole-2-thione (CID 4189349) is 3-prop-2-enyl-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-prop-2-enyl-1H-benzimidazole-2-thione?
The canonical SMILES for 3-prop-2-enyl-1H-benzimidazole-2-thione is C=CCn1c(=S)[nH]c2ccccc21.
What is the InChIKey of 3-prop-2-enyl-1H-benzimidazole-2-thione?
The InChIKey is JTRIXERILCLYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h2-6H,1,7H2,(H,11,13).
What are the key properties of 3-prop-2-enyl-1H-benzimidazole-2-thione?
3-prop-2-enyl-1H-benzimidazole-2-thione has a molecular weight of 190.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1H-benzimidazole-2-thione is sourced from PubChem (CID 4189349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).