6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione

C14H19N3OS2 — CID 106326132

IUPAC6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione
SMILESCOc1ccc2c(c1)[nH]c(=S)n2CCN1CCSCC1
InChIInChI=1S/C14H19N3OS2/c1-18-11-2-3-13-12(10-11)15-14(19)17(13)5-4-16-6-8-20-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,19)
InChIKeyYVYPAZWWMNKPNH-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.76
Rot. Bonds4

About 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione

6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione (PubChem CID 106326132) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione
PubChem CID106326132
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione
SMILESCOc1ccc2c(c1)[nH]c(=S)n2CCN1CCSCC1
InChIInChI=1S/C14H19N3OS2/c1-18-11-2-3-13-12(10-11)15-14(19)17(13)5-4-16-6-8-20-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,19)
InChIKeyYVYPAZWWMNKPNH-UHFFFAOYSA-N
XLogP2.76
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-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

Related Compounds

3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione
CID 106326145
3-[2-(cyclopenten-1-yl)ethyl]-6-methoxy-1H-benzimidazole-2-thione
CID 106171644
5-chloro-6-fluoro-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione
CID 106326166
5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326321
methyl 4-(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)butanoate
CID 83417923
6-methoxy-3-(3-methyl-2-propan-2-ylbutyl)-1H-benzimidazole-2-thione
CID 102906738
6-methoxy-3-(2-methylsulfanylpropyl)-1H-benzimidazole-2-thione
CID 113466679
6-methoxy-3-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-thione
CID 83019275
6-bromo-3-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-thione
CID 43659859
6-chloro-3-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-thione
CID 43659243
5-methoxy-3-octyl-1H-benzimidazole-2-thione
CID 115569102
3-(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258747

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione (CID 106326132) is 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione is COc1ccc2c(c1)[nH]c(=S)n2CCN1CCSCC1.
What is the InChIKey of 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione?
The InChIKey is YVYPAZWWMNKPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-18-11-2-3-13-12(10-11)15-14(19)17(13)5-4-16-6-8-20-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,19).
What are the key properties of 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione?
6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione has a molecular weight of 309.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(2-thiomorpholin-4-ylethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 106326132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).