1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole

C8H4ClN3S — CID 23303029

IUPAC1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole
SMILESClc1nsc2nc3ccccc3n12
InChIInChI=1S/C8H4ClN3S/c9-7-11-13-8-10-5-3-1-2-4-6(5)12(7)8/h1-4H
InChIKeyWPOGCIGKQWJTDP-UHFFFAOYSA-N
MW209.66 g/mol
LogP2.60
Rot. Bonds

About 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole

1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole (PubChem CID 23303029) has the molecular formula C8H4ClN3S and a molecular weight of 209.66 g/mol. Its IUPAC name is 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole.

Molecular Properties

Compound Name1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole
PubChem CID23303029
Molecular FormulaC8H4ClN3S
Molecular Weight209.66 g/mol
Exact Mass208.98
IUPAC Name1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole
SMILESClc1nsc2nc3ccccc3n12
InChIInChI=1S/C8H4ClN3S/c9-7-11-13-8-10-5-3-1-2-4-6(5)12(7)8/h1-4H
InChIKeyWPOGCIGKQWJTDP-UHFFFAOYSA-N
XLogP2.60
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)ethanamine
CID 23303056
1-cyclopentyloxy-[1,2,4]thiadiazolo[4,5-a]benzimidazole
CID 23303100
1,4-dichloroimidazo[1,5-a]quinoxaline
CID 56616172
1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]thiadiazolo[4,5-a]benzimidazole
CID 23303057
(4-benzylpiperazin-1-yl)-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-yl)methanone
CID 23303078
2-chloro-1-phenylbenzimidazole
CID 12675133
1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
CID 21178978
5-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylmethyl)cyclohexa-2,4-dien-1-one
CID 151961928
3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723176
2-phenyl-1-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-yl)ethanone;1-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-yl)butan-1-one;1-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-yl)propan-1-one
CID 161023588
4-(2-chlorobenzimidazol-1-yl)benzonitrile
CID 68907266
3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole
CID 11236662

Frequently Asked Questions

What is the IUPAC name of 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The IUPAC name of 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole (CID 23303029) is 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole.
What is the SMILES notation for 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The canonical SMILES for 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole is Clc1nsc2nc3ccccc3n12.
What is the InChIKey of 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
The InChIKey is WPOGCIGKQWJTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3S/c9-7-11-13-8-10-5-3-1-2-4-6(5)12(7)8/h1-4H.
What are the key properties of 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole?
1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole has a molecular weight of 209.66 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole is sourced from PubChem (CID 23303029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).