2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole

C20H12N6S — CID 91160562

IUPAC2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3cc4n[nH]nc4cc3-c3nc4ccccc4s3)nc2c1
InChIInChI=1S/C20H12N6S/c1-2-6-14-13(5-1)21-19(22-14)11-9-16-17(25-26-24-16)10-12(11)20-23-15-7-3-4-8-18(15)27-20/h1-10H,(H,21,22)(H,24,25,26)
InChIKeyANVIHZMDBBVEMU-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.78
Rot. Bonds2

About 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole

2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole (PubChem CID 91160562) has the molecular formula C20H12N6S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole
PubChem CID91160562
Molecular FormulaC20H12N6S
Molecular Weight368.43 g/mol
Exact Mass368.08
IUPAC Name2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3cc4n[nH]nc4cc3-c3nc4ccccc4s3)nc2c1
InChIInChI=1S/C20H12N6S/c1-2-6-14-13(5-1)21-19(22-14)11-9-16-17(25-26-24-16)10-12(11)20-23-15-7-3-4-8-18(15)27-20/h1-10H,(H,21,22)(H,24,25,26)
InChIKeyANVIHZMDBBVEMU-UHFFFAOYSA-N
XLogP4.78
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole 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

5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol
CID 137252031
5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
CID 145194821
4-(1,3-benzothiazol-2-yl)-1H-quinoline-2-thione
CID 2512502
2-dibenzothiophen-4-yl-1H-benzimidazole
CID 139436159
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
CID 171981650

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole (CID 91160562) is 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole is c1ccc2[nH]c(-c3cc4n[nH]nc4cc3-c3nc4ccccc4s3)nc2c1.
What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole?
The InChIKey is ANVIHZMDBBVEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N6S/c1-2-6-14-13(5-1)21-19(22-14)11-9-16-17(25-26-24-16)10-12(11)20-23-15-7-3-4-8-18(15)27-20/h1-10H,(H,21,22)(H,24,25,26).
What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole?
2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole has a molecular weight of 368.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 91160562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).