3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one

C26H14N2O2S — CID 162723051

IUPAC3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one
SMILESO=c1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2sc2nc3ccccc3n12
InChIInChI=1S/C26H14N2O2S/c29-25-18-11-9-16(14-24(18)31-26-27-20-6-2-3-7-21(20)28(25)26)15-10-12-23-19(13-15)17-5-1-4-8-22(17)30-23/h1-14H
InChIKeyVDUYTNHSABJDNS-UHFFFAOYSA-N
MW418.48 g/mol
LogP6.63
Rot. Bonds1

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

3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one (PubChem CID 162723051) has the molecular formula C26H14N2O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one.

Molecular Properties

Compound Name3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one
PubChem CID162723051
Molecular FormulaC26H14N2O2S
Molecular Weight418.48 g/mol
Exact Mass418.08
IUPAC Name3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one
SMILESO=c1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2sc2nc3ccccc3n12
InChIInChI=1S/C26H14N2O2S/c29-25-18-11-9-16(14-24(18)31-26-27-20-6-2-3-7-21(20)28(25)26)15-10-12-23-19(13-15)17-5-1-4-8-22(17)30-23/h1-14H
InChIKeyVDUYTNHSABJDNS-UHFFFAOYSA-N
XLogP6.63
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole
CID 163979910
3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723176
8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one
CID 163394929
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394931
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole
CID 138539007
11-dibenzofuran-2-yl-5,17-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
CID 118390329
11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
CID 118390318
2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624493
9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole
CID 170688601
9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
CID 121449385
5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248630

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one?
The IUPAC name of 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one (CID 162723051) is 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one.
What is the SMILES notation for 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one?
The canonical SMILES for 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one is O=c1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2sc2nc3ccccc3n12.
What is the InChIKey of 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one?
The InChIKey is VDUYTNHSABJDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2O2S/c29-25-18-11-9-16(14-24(18)31-26-27-20-6-2-3-7-21(20)28(25)26)15-10-12-23-19(13-15)17-5-1-4-8-22(17)30-23/h1-14H.
What are the key properties of 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one?
3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one has a molecular weight of 418.48 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one is sourced from PubChem (CID 162723051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).