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Fenbendazole

C15H13N3O2S — CID 3334

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyHDDSHPAODJUKPD-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.89
Rot. Bonds3

About Fenbendazole

Fenbendazole (PubChem CID 3334) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound NameFenbendazole
PubChem CID3334
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Namemethyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyHDDSHPAODJUKPD-UHFFFAOYSA-N
XLogP3.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Albendazole
CID 2082
Carbendazim
CID 25429
Lobendazole
CID 22752
Denibulin
CID 11661758
4-(1H-benzimidazol-2-ylthio)aniline
CID 2398100
Methiazole
CID 6604471
TIE-2/VEGFR-2 kinase-IN-3
CID 10186269

Frequently Asked Questions

What is the IUPAC name of Fenbendazole?
The IUPAC name of Fenbendazole (CID 3334) is methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for Fenbendazole?
The canonical SMILES for Fenbendazole is COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1.
What is the InChIKey of Fenbendazole?
The InChIKey is HDDSHPAODJUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of Fenbendazole?
Fenbendazole has a molecular weight of 299.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Fenbendazole is sourced from PubChem (CID 3334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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