3-(2-methoxyethyl)-1H-benzimidazole-2-thione

C10H12N2OS — CID 3713419

IUPAC3-(2-methoxyethyl)-1H-benzimidazole-2-thione
SMILESCOCCn1c(=S)[nH]c2ccccc21
InChIInChI=1S/C10H12N2OS/c1-13-7-6-12-9-5-3-2-4-8(9)11-10(12)14/h2-5H,6-7H2,1H3,(H,11,14)
InChIKeyGJGGNVTXYUALAR-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.35
Rot. Bonds3

About 3-(2-methoxyethyl)-1H-benzimidazole-2-thione

3-(2-methoxyethyl)-1H-benzimidazole-2-thione (PubChem CID 3713419) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1H-benzimidazole-2-thione
PubChem CID3713419
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-(2-methoxyethyl)-1H-benzimidazole-2-thione
SMILESCOCCn1c(=S)[nH]c2ccccc21
InChIInChI=1S/C10H12N2OS/c1-13-7-6-12-9-5-3-2-4-8(9)11-10(12)14/h2-5H,6-7H2,1H3,(H,11,14)
InChIKeyGJGGNVTXYUALAR-UHFFFAOYSA-N
XLogP2.35
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ebio
CID 82320
1-Methyl-1H-benzimidazole-2-thiol
CID 1522244
1-Phenyl-1H-benzimidazol-2-YL hydrosulfide
CID 720852
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1,3-Dimethylbenzimidazoline-2-thione
CID 123191
N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
1-Ethyl-1H-benzimidazole-2-thiol
CID 755555
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
N-phenylmorpholine-4-carbothioamide
CID 668271
Thiourea, N-(2-(ethenyloxy)ethyl)-N'-phenyl-
CID 3067952
1-(propan-2-yl)-1H-1,3-benzodiazole-2-thiol
CID 720070
1-(2-Methoxyethyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2393080

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 3-(2-methoxyethyl)-1H-benzimidazole-2-thione (CID 3713419) is 3-(2-methoxyethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 3-(2-methoxyethyl)-1H-benzimidazole-2-thione is COCCn1c(=S)[nH]c2ccccc21.
What is the InChIKey of 3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The InChIKey is GJGGNVTXYUALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-13-7-6-12-9-5-3-2-4-8(9)11-10(12)14/h2-5H,6-7H2,1H3,(H,11,14).
What are the key properties of 3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
3-(2-methoxyethyl)-1H-benzimidazole-2-thione has a molecular weight of 208.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 3713419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).