5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione

C10H7ClN4OS — CID 106405472

IUPAC5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
SMILESS=c1[nH]c2ccc(Cl)cc2n1Cc1ncon1
InChIInChI=1S/C10H7ClN4OS/c11-6-1-2-7-8(3-6)15(10(17)13-7)4-9-12-5-16-14-9/h1-3,5H,4H2,(H,13,17)
InChIKeyVUFSKNARYOEUPU-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.78
Rot. Bonds2

About 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione

5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione (PubChem CID 106405472) has the molecular formula C10H7ClN4OS and a molecular weight of 266.71 g/mol. Its IUPAC name is 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
PubChem CID106405472
Molecular FormulaC10H7ClN4OS
Molecular Weight266.71 g/mol
Exact Mass266.00
IUPAC Name5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
SMILESS=c1[nH]c2ccc(Cl)cc2n1Cc1ncon1
InChIInChI=1S/C10H7ClN4OS/c11-6-1-2-7-8(3-6)15(10(17)13-7)4-9-12-5-16-14-9/h1-3,5H,4H2,(H,13,17)
InChIKeyVUFSKNARYOEUPU-UHFFFAOYSA-N
XLogP2.78
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-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

6-bromo-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 114184727
5-chloro-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 115470175
5-chloro-3-(furan-2-ylmethyl)-1H-benzimidazole-2-thione
CID 115469800
5-chloro-3-[(6-methoxy-3-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 115470091
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 114184738
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114184770
3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole
CID 116620553
7-ethoxy-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 106405502
5-chloro-3-(3-methylbut-2-enyl)-1H-benzimidazole-2-thione
CID 106184989
5-chloro-3-(3,3,3-trifluoropropyl)-1H-benzimidazole-2-thione
CID 115470095
5-chloro-3-(2-methylbutyl)-1H-benzimidazole-2-thione
CID 115470074
5-chloro-3-(2,2-dimethylbutyl)-1H-benzimidazole-2-thione
CID 103462843

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione (CID 106405472) is 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione is S=c1[nH]c2ccc(Cl)cc2n1Cc1ncon1.
What is the InChIKey of 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione?
The InChIKey is VUFSKNARYOEUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4OS/c11-6-1-2-7-8(3-6)15(10(17)13-7)4-9-12-5-16-14-9/h1-3,5H,4H2,(H,13,17).
What are the key properties of 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione?
5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione has a molecular weight of 266.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 106405472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).