5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole

C13H8N4S — CID 168553940

IUPAC5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole
SMILESc1ccc2[nH]c(-c3ccc4snnc4c3)nc2c1
InChIInChI=1S/C13H8N4S/c1-2-4-10-9(3-1)14-13(15-10)8-5-6-12-11(7-8)16-17-18-12/h1-7H,(H,14,15)
InChIKeyUCENMDIWNKUEFX-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.23
Rot. Bonds1

About 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole

5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole (PubChem CID 168553940) has the molecular formula C13H8N4S and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole
PubChem CID168553940
Molecular FormulaC13H8N4S
Molecular Weight252.30 g/mol
Exact Mass252.05
IUPAC Name5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole
SMILESc1ccc2[nH]c(-c3ccc4snnc4c3)nc2c1
InChIInChI=1S/C13H8N4S/c1-2-4-10-9(3-1)14-13(15-10)8-5-6-12-11(7-8)16-17-18-12/h1-7H,(H,14,15)
InChIKeyUCENMDIWNKUEFX-UHFFFAOYSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
CID 145194821
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
CID 171981650
6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole
CID 168555470
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152
2-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1H-benzimidazole
CID 168554502
4-(1H-benzimidazol-2-yl)-2-nitrophenol
CID 135696400

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole (CID 168553940) is 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole is c1ccc2[nH]c(-c3ccc4snnc4c3)nc2c1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole?
The InChIKey is UCENMDIWNKUEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S/c1-2-4-10-9(3-1)14-13(15-10)8-5-6-12-11(7-8)16-17-18-12/h1-7H,(H,14,15).
What are the key properties of 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole?
5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole has a molecular weight of 252.30 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole is sourced from PubChem (CID 168553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).