6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole

C15H11N3S — CID 171981650

IUPAC6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1
InChIInChI=1S/C15H11N3S/c1-9-16-13-7-6-10(8-14(13)19-9)15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H,17,18)
InChIKeyUAXZKDORPCLTNW-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.15
Rot. Bonds1

About 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole

6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole (PubChem CID 171981650) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
PubChem CID171981650
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1
InChIInChI=1S/C15H11N3S/c1-9-16-13-7-6-10(8-14(13)19-9)15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H,17,18)
InChIKeyUAXZKDORPCLTNW-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1H-benzimidazol-2-yl)-2-methyl-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

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
6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 17336802
5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole
CID 168553940
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
CID 145194821
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
CID 121004860
6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole
CID 168555470
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole (CID 171981650) is 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole is Cc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole?
The InChIKey is UAXZKDORPCLTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-9-16-13-7-6-10(8-14(13)19-9)15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H,17,18).
What are the key properties of 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole?
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole has a molecular weight of 265.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 171981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).