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

C13H11FN2S2 — CID 54953635

IUPAC7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione
SMILESFc1cccc2c1[nH]c(=S)n2CCc1ccsc1
InChIInChI=1S/C13H11FN2S2/c14-10-2-1-3-11-12(10)15-13(17)16(11)6-4-9-5-7-18-8-9/h1-3,5,7-8H,4,6H2,(H,15,17)
InChIKeyZKHJPGHLRFAADG-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.14
Rot. Bonds3

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

7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione (PubChem CID 54953635) has the molecular formula C13H11FN2S2 and a molecular weight of 278.38 g/mol. Its IUPAC name is 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione
PubChem CID54953635
Molecular FormulaC13H11FN2S2
Molecular Weight278.38 g/mol
Exact Mass278.03
IUPAC Name7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione
SMILESFc1cccc2c1[nH]c(=S)n2CCc1ccsc1
InChIInChI=1S/C13H11FN2S2/c14-10-2-1-3-11-12(10)15-13(17)16(11)6-4-9-5-7-18-8-9/h1-3,5,7-8H,4,6H2,(H,15,17)
InChIKeyZKHJPGHLRFAADG-UHFFFAOYSA-N
XLogP4.14
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione (CID 54953635) is 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione is Fc1cccc2c1[nH]c(=S)n2CCc1ccsc1.
What is the InChIKey of 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione?
The InChIKey is ZKHJPGHLRFAADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S2/c14-10-2-1-3-11-12(10)15-13(17)16(11)6-4-9-5-7-18-8-9/h1-3,5,7-8H,4,6H2,(H,15,17).
What are the key properties of 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione?
7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione has a molecular weight of 278.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 54953635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).