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

C14H9N3S — CID 30994080

IUPAC2-(benzimidazol-1-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-n3cnc4ccccc43)nc2c1
InChIInChI=1S/C14H9N3S/c1-3-7-12-10(5-1)15-9-17(12)14-16-11-6-2-4-8-13(11)18-14/h1-9H
InChIKeyYNUBUKQZEBMVPY-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.64
Rot. Bonds1

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

2-(benzimidazol-1-yl)-1,3-benzothiazole (PubChem CID 30994080) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1,3-benzothiazole
PubChem CID30994080
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name2-(benzimidazol-1-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-n3cnc4ccccc43)nc2c1
InChIInChI=1S/C14H9N3S/c1-3-7-12-10(5-1)15-9-17(12)14-16-11-6-2-4-8-13(11)18-14/h1-9H
InChIKeyYNUBUKQZEBMVPY-UHFFFAOYSA-N
XLogP3.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(benzimidazol-1-yl)-1,3-benzothiazole (CID 30994080) is 2-(benzimidazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(benzimidazol-1-yl)-1,3-benzothiazole is c1ccc2sc(-n3cnc4ccccc43)nc2c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1,3-benzothiazole?
The InChIKey is YNUBUKQZEBMVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c1-3-7-12-10(5-1)15-9-17(12)14-16-11-6-2-4-8-13(11)18-14/h1-9H.
What are the key properties of 2-(benzimidazol-1-yl)-1,3-benzothiazole?
2-(benzimidazol-1-yl)-1,3-benzothiazole has a molecular weight of 251.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 30994080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).