3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione

C15H13FN2S — CID 29066010

IUPAC3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione
SMILESFc1ccccc1CCn1c(=S)[nH]c2ccccc21
InChIInChI=1S/C15H13FN2S/c16-12-6-2-1-5-11(12)9-10-18-14-8-4-3-7-13(14)17-15(18)19/h1-8H,9-10H2,(H,17,19)
InChIKeySDPQWZZXNNBZBV-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.08
Rot. Bonds3

About 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione

3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione (PubChem CID 29066010) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione
PubChem CID29066010
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione
SMILESFc1ccccc1CCn1c(=S)[nH]c2ccccc21
InChIInChI=1S/C15H13FN2S/c16-12-6-2-1-5-11(12)9-10-18-14-8-4-3-7-13(14)17-15(18)19/h1-8H,9-10H2,(H,17,19)
InChIKeySDPQWZZXNNBZBV-UHFFFAOYSA-N
XLogP4.08
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-fluoro-3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione
CID 66078623
3-(3-aminopropyl)-1H-benzimidazole-2-thione
CID 83417654
6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306380
3-(3-methylbutyl)-1H-benzimidazole-2-thione
CID 950656
3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanenitrile
CID 2809686
6-bromo-5-fluoro-3-[2-(2-methylphenyl)ethyl]-1H-benzimidazole-2-thione
CID 79754728
3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanoic acid
CID 14453587
1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79756408
3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazole-2-thione
CID 82089640
3-(3-phenylbutyl)-1H-benzimidazole-2-thione
CID 63545140
1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
CID 43510646
3-prop-2-ynyl-1H-benzimidazole-2-thione
CID 1492399

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione (CID 29066010) is 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione is Fc1ccccc1CCn1c(=S)[nH]c2ccccc21.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione?
The InChIKey is SDPQWZZXNNBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c16-12-6-2-1-5-11(12)9-10-18-14-8-4-3-7-13(14)17-15(18)19/h1-8H,9-10H2,(H,17,19).
What are the key properties of 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione?
3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione has a molecular weight of 272.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 29066010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).