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

Related Compounds

2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole
CID 121298561
10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 121298667
dibenzothiophene;ethane;tris(2-methyl-1-phenylbenzimidazole);phenanthrene
CID 157228707
22-(1,3-benzothiazol-2-yl)-8-thia-22-azaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene
CID 90250060
2-(1,3-benzothiazol-2-yl)-3-methyl-1H-1,2,4-triazol-5-one
CID 115371955
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
CID 15176220
7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502672
2-(22,22-dimethyl-8-azaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaen-8-yl)-1,3-benzothiazole
CID 90249801
1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236799
CID 58036200
CID 58036200
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969

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).