3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione

C15H20N2O2S — CID 83008054

IUPAC3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione
SMILESCOc1cc2[nH]c(=S)n(C3CCCCC3)c2cc1OC
InChIInChI=1S/C15H20N2O2S/c1-18-13-8-11-12(9-14(13)19-2)17(15(20)16-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,20)
InChIKeyORGAVHDCAQHLNH-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.22
Rot. Bonds3

About 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione

3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione (PubChem CID 83008054) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione
PubChem CID83008054
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione
SMILESCOc1cc2[nH]c(=S)n(C3CCCCC3)c2cc1OC
InChIInChI=1S/C15H20N2O2S/c1-18-13-8-11-12(9-14(13)19-2)17(15(20)16-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,20)
InChIKeyORGAVHDCAQHLNH-UHFFFAOYSA-N
XLogP4.22
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-5,6-dimethoxy-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-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione?
The IUPAC name of 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione (CID 83008054) is 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione?
The canonical SMILES for 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione is COc1cc2[nH]c(=S)n(C3CCCCC3)c2cc1OC.
What is the InChIKey of 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione?
The InChIKey is ORGAVHDCAQHLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-18-13-8-11-12(9-14(13)19-2)17(15(20)16-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,20).
What are the key properties of 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione?
3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione has a molecular weight of 292.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6-dimethoxy-1H-benzimidazole-2-thione is sourced from PubChem (CID 83008054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).