3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one

C14H7ClN2OS — CID 162723176

IUPAC3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
SMILESO=c1c2ccc(Cl)cc2sc2nc3ccccc3n12
InChIInChI=1S/C14H7ClN2OS/c15-8-5-6-9-12(7-8)19-14-16-10-3-1-2-4-11(10)17(14)13(9)18/h1-7H
InChIKeySSHLXKBGZODPDJ-UHFFFAOYSA-N
MW286.74 g/mol
LogP3.72
Rot. Bonds

About 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one

3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one (PubChem CID 162723176) has the molecular formula C14H7ClN2OS and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one.

Molecular Properties

Compound Name3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
PubChem CID162723176
Molecular FormulaC14H7ClN2OS
Molecular Weight286.74 g/mol
Exact Mass286.00
IUPAC Name3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
SMILESO=c1c2ccc(Cl)cc2sc2nc3ccccc3n12
InChIInChI=1S/C14H7ClN2OS/c15-8-5-6-9-12(7-8)19-14-16-10-3-1-2-4-11(10)17(14)13(9)18/h1-7H
InChIKeySSHLXKBGZODPDJ-UHFFFAOYSA-N
XLogP3.72
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one?
The IUPAC name of 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one (CID 162723176) is 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one.
What is the SMILES notation for 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one?
The canonical SMILES for 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one is O=c1c2ccc(Cl)cc2sc2nc3ccccc3n12.
What is the InChIKey of 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one?
The InChIKey is SSHLXKBGZODPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2OS/c15-8-5-6-9-12(7-8)19-14-16-10-3-1-2-4-11(10)17(14)13(9)18/h1-7H.
What are the key properties of 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one?
3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one has a molecular weight of 286.74 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one is sourced from PubChem (CID 162723176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).