7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione

C13H11ClN2S2 — CID 113458929

IUPAC7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
SMILESS=c1[nH]c2c(Cl)cccc2n1CCc1cccs1
InChIInChI=1S/C13H11ClN2S2/c14-10-4-1-5-11-12(10)15-13(17)16(11)7-6-9-3-2-8-18-9/h1-5,8H,6-7H2,(H,15,17)
InChIKeyYISDLEBUSQKIMV-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.66
Rot. Bonds3

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

7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione (PubChem CID 113458929) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
PubChem CID113458929
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC Name7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
SMILESS=c1[nH]c2c(Cl)cccc2n1CCc1cccs1
InChIInChI=1S/C13H11ClN2S2/c14-10-4-1-5-11-12(10)15-13(17)16(11)7-6-9-3-2-8-18-9/h1-5,8H,6-7H2,(H,15,17)
InChIKeyYISDLEBUSQKIMV-UHFFFAOYSA-N
XLogP4.66
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.66
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-methoxyethyl)-1H-benzimidazole-2-thione
CID 104836162
7-chloro-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 104836476
7-chloro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034441
7-chloro-3-hexyl-1H-benzimidazole-2-thione
CID 104836501
7-chloro-3-(1,3-thiazol-2-ylmethyl)-1H-benzimidazole-2-thione
CID 104836355
7-chloro-3-[(5-chlorothiophen-2-yl)methyl]-1H-benzimidazole-2-thione
CID 104836506
7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
CID 60789505
3-benzyl-7-chloro-1H-benzimidazole-2-thione
CID 104836133
5-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)pentanamide
CID 106235969
4-methyl-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 115551591
7-chloro-3-(2,3-dimethylbutyl)-1H-benzimidazole-2-thione
CID 104836514
7-chloro-3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-benzimidazole-2-thione
CID 104836574

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione (CID 113458929) is 7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione is S=c1[nH]c2c(Cl)cccc2n1CCc1cccs1.
What is the InChIKey of 7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione?
The InChIKey is YISDLEBUSQKIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S2/c14-10-4-1-5-11-12(10)15-13(17)16(11)7-6-9-3-2-8-18-9/h1-5,8H,6-7H2,(H,15,17).
What are the key properties of 7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione?
7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione has a molecular weight of 294.83 g/mol, XLogP of 4.66, 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-thiophen-2-ylethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 113458929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).