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

C15H13FN2OS — CID 790959

IUPAC3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione
SMILESFc1ccccc1OCCn1c(=S)[nH]c2ccccc21
InChIInChI=1S/C15H13FN2OS/c16-11-5-1-4-8-14(11)19-10-9-18-13-7-3-2-6-12(13)17-15(18)20/h1-8H,9-10H2,(H,17,20)
InChIKeyAOBFDYQSAGSMSN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.92
Rot. Bonds4

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

3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione (PubChem CID 790959) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione
PubChem CID790959
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione
SMILESFc1ccccc1OCCn1c(=S)[nH]c2ccccc21
InChIInChI=1S/C15H13FN2OS/c16-11-5-1-4-8-14(11)19-10-9-18-13-7-3-2-6-12(13)17-15(18)20/h1-8H,9-10H2,(H,17,20)
InChIKeyAOBFDYQSAGSMSN-UHFFFAOYSA-N
XLogP3.92
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxiperomide
CID 68634
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
CID 773463
1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol
CID 703809
4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazole-2-thione
CID 9817774
5-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 9843062
1-(1-(3-(4-fluorophenoxy)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44204999
5-ethoxy-1-methyl-1H-benzimidazole-2-thiol
CID 760266
3-(2-phenoxyethyl)-1H-benzimidazole-2-thione
CID 761457
1,3-Dihydro-1-(2-(2-methylphenoxy)ethyl)-2H-benzimidazole-2-thione
CID 773461
N-(4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 776634
1-[2-(4-ethoxyphenoxy)ethyl]-1H-benzimidazole-2-thiol
CID 784629
N-(4-ethoxyphenyl)pyrrolidine-1-carbothioamide
CID 7942188

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione?
The IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione (CID 790959) is 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione is Fc1ccccc1OCCn1c(=S)[nH]c2ccccc21.
What is the InChIKey of 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione?
The InChIKey is AOBFDYQSAGSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-11-5-1-4-8-14(11)19-10-9-18-13-7-3-2-6-12(13)17-15(18)20/h1-8H,9-10H2,(H,17,20).
What are the key properties of 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione?
3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione has a molecular weight of 288.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)ethyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 790959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).