2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole

C15H11N3S — CID 79753561

IUPAC2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
SMILESCc1nc2ccccc2n1-c1nc2ccccc2s1
InChIInChI=1S/C15H11N3S/c1-10-16-11-6-2-4-8-13(11)18(10)15-17-12-7-3-5-9-14(12)19-15/h2-9H,1H3
InChIKeyVWBWNQXGTUCHHI-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.94
Rot. Bonds1

About 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole

2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole (PubChem CID 79753561) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
PubChem CID79753561
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
SMILESCc1nc2ccccc2n1-c1nc2ccccc2s1
InChIInChI=1S/C15H11N3S/c1-10-16-11-6-2-4-8-13(11)18(10)15-17-12-7-3-5-9-14(12)19-15/h2-9H,1H3
InChIKeyVWBWNQXGTUCHHI-UHFFFAOYSA-N
XLogP3.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylbenzimidazol-1-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole (CID 79753561) is 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole is Cc1nc2ccccc2n1-c1nc2ccccc2s1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole?
The InChIKey is VWBWNQXGTUCHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-10-16-11-6-2-4-8-13(11)18(10)15-17-12-7-3-5-9-14(12)19-15/h2-9H,1H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole?
2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole has a molecular weight of 265.34 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 79753561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).