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

C15H15FN2S2 — CID 63546020

IUPAC7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione
SMILESCCCC(c1cccs1)n1c(=S)[nH]c2c(F)cccc21
InChIInChI=1S/C15H15FN2S2/c1-2-5-11(13-8-4-9-20-13)18-12-7-3-6-10(16)14(12)17-15(18)19/h3-4,6-9,11H,2,5H2,1H3,(H,17,19)
InChIKeyQOYBSNHZVHOUGW-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.29
Rot. Bonds4

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

7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione (PubChem CID 63546020) has the molecular formula C15H15FN2S2 and a molecular weight of 306.43 g/mol. Its IUPAC name is 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione
PubChem CID63546020
Molecular FormulaC15H15FN2S2
Molecular Weight306.43 g/mol
Exact Mass306.07
IUPAC Name7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione
SMILESCCCC(c1cccs1)n1c(=S)[nH]c2c(F)cccc21
InChIInChI=1S/C15H15FN2S2/c1-2-5-11(13-8-4-9-20-13)18-12-7-3-6-10(16)14(12)17-15(18)19/h3-4,6-9,11H,2,5H2,1H3,(H,17,19)
InChIKeyQOYBSNHZVHOUGW-UHFFFAOYSA-N
XLogP5.29
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.29
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-fluoro-3-hexan-2-yl-1H-benzimidazole-2-thione
CID 63545490
7-fluoro-3-(4-methylsulfanylbutan-2-yl)-1H-benzimidazole-2-thione
CID 113477786
7-fluoro-3-[1-(4-fluorophenyl)propan-2-yl]-1H-benzimidazole-2-thione
CID 63545861
4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
CID 81336128
7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
CID 60789505
4-phenyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
CID 63548855
7-chloro-3-pentan-2-yl-1H-benzimidazole-2-thione
CID 104836127
7-fluoro-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
CID 60790254
2-(chloromethyl)-6-fluoro-1-(1-thiophen-2-ylbutyl)benzimidazole
CID 62378429
7-chloro-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 104836476
3-chloro-5-propyl-4-(1-thiophen-2-ylbutyl)-1,2,4-triazole
CID 63385271
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-fluoro-1H-benzimidazole-2-thione
CID 79242526

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione?
The IUPAC name of 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione (CID 63546020) is 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione is CCCC(c1cccs1)n1c(=S)[nH]c2c(F)cccc21.
What is the InChIKey of 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione?
The InChIKey is QOYBSNHZVHOUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S2/c1-2-5-11(13-8-4-9-20-13)18-12-7-3-6-10(16)14(12)17-15(18)19/h3-4,6-9,11H,2,5H2,1H3,(H,17,19).
What are the key properties of 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione?
7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione has a molecular weight of 306.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 63546020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).