2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole

C21H15N3S — CID 775694

IUPAC2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole
SMILESCc1nc2cc(-c3nc4ccccc4s3)ccc2n1-c1ccccc1
InChIInChI=1S/C21H15N3S/c1-14-22-18-13-15(21-23-17-9-5-6-10-20(17)25-21)11-12-19(18)24(14)16-7-3-2-4-8-16/h2-13H,1H3
InChIKeyXYUWJCXWENDQJR-UHFFFAOYSA-N
MW341.44 g/mol
LogP5.61
Rot. Bonds2

About 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole

2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole (PubChem CID 775694) has the molecular formula C21H15N3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole
PubChem CID775694
Molecular FormulaC21H15N3S
Molecular Weight341.44 g/mol
Exact Mass341.10
IUPAC Name2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole
SMILESCc1nc2cc(-c3nc4ccccc4s3)ccc2n1-c1ccccc1
InChIInChI=1S/C21H15N3S/c1-14-22-18-13-15(21-23-17-9-5-6-10-20(17)25-21)11-12-19(18)24(14)16-7-3-2-4-8-16/h2-13H,1H3
InChIKeyXYUWJCXWENDQJR-UHFFFAOYSA-N
XLogP5.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole (CID 775694) is 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole is Cc1nc2cc(-c3nc4ccccc4s3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole?
The InChIKey is XYUWJCXWENDQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3S/c1-14-22-18-13-15(21-23-17-9-5-6-10-20(17)25-21)11-12-19(18)24(14)16-7-3-2-4-8-16/h2-13H,1H3.
What are the key properties of 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole?
2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole has a molecular weight of 341.44 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylbenzimidazol-5-yl)-1,3-benzothiazole is sourced from PubChem (CID 775694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).