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

C10H11ClN2OS — CID 104836162

IUPAC7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
SMILESCOCCn1c(=S)[nH]c2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2OS/c1-14-6-5-13-8-4-2-3-7(11)9(8)12-10(13)15/h2-4H,5-6H2,1H3,(H,12,15)
InChIKeyRJYXCRGSNGXROZ-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.00
Rot. Bonds3

About 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione

7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione (PubChem CID 104836162) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
PubChem CID104836162
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
SMILESCOCCn1c(=S)[nH]c2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2OS/c1-14-6-5-13-8-4-2-3-7(11)9(8)12-10(13)15/h2-4H,5-6H2,1H3,(H,12,15)
InChIKeyRJYXCRGSNGXROZ-UHFFFAOYSA-N
XLogP3.00
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.00
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

7-chloro-3-(2-ethoxyethyl)-1H-benzimidazole-2-thione
CID 104836286
7-chloro-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-benzimidazole-2-thione
CID 104836459
3-(2-butoxyethyl)-7-chloro-1H-benzimidazole-2-thione
CID 113458959
3-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 104836653
3-(2-but-3-enoxyethyl)-7-chloro-1H-benzimidazole-2-thione
CID 114184777
7-chloro-3-hexyl-1H-benzimidazole-2-thione
CID 104836501
7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 113458929
7-chloro-3-(2,3-dimethylbutyl)-1H-benzimidazole-2-thione
CID 104836514
7-chloro-3-[(2-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
CID 104836128
3-benzyl-7-chloro-1H-benzimidazole-2-thione
CID 104836133
5-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)pentanamide
CID 106235969
7-chloro-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-benzimidazole-2-thione
CID 104836493

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione (CID 104836162) is 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione is COCCn1c(=S)[nH]c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The InChIKey is RJYXCRGSNGXROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-14-6-5-13-8-4-2-3-7(11)9(8)12-10(13)15/h2-4H,5-6H2,1H3,(H,12,15).
What are the key properties of 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione has a molecular weight of 242.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 104836162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).