4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C24H14N4OS — CID 123795126

IUPAC4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2oc3ccc(-c4ccc5sc6nc7ccccc7n6c5c4)nc3c2n1
InChIInChI=1S/C24H14N4OS/c1-13-6-9-19-22(25-13)23-20(29-19)10-8-15(26-23)14-7-11-21-18(12-14)28-17-5-3-2-4-16(17)27-24(28)30-21/h2-12H,1H3
InChIKeySBJAOTBYGKCLGW-UHFFFAOYSA-N
MW406.47 g/mol
LogP6.37
Rot. Bonds1

About 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 123795126) has the molecular formula C24H14N4OS and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID123795126
Molecular FormulaC24H14N4OS
Molecular Weight406.47 g/mol
Exact Mass406.09
IUPAC Name4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2oc3ccc(-c4ccc5sc6nc7ccccc7n6c5c4)nc3c2n1
InChIInChI=1S/C24H14N4OS/c1-13-6-9-19-22(25-13)23-20(29-19)10-8-15(26-23)14-7-11-21-18(12-14)28-17-5-3-2-4-16(17)27-24(28)30-21/h2-12H,1H3
InChIKeySBJAOTBYGKCLGW-UHFFFAOYSA-N
XLogP6.37
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

19-Oxa-9-thia-2,11-diazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaen-20-one
CID 132849197
2-(1-Benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607090
4-(Benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 90090618
4-Dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 117854915
2-Dibenzofuran-4-ylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 117854941
4-(Benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 117854947
2-Dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 117854954
4-(Benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 117854955
6-(Benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 117854956
4-[5-(Benzimidazolo[2,1-b][1,3]benzothiazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-12-(5-methylbenzimidazolo[1,2-a]benzimidazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 117854961
6-[5-(Benzimidazolo[2,1-b][1,3]benzothiazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-10-(5-methylbenzimidazolo[1,2-a]benzimidazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 117854962
10-(1,3-Benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole
CID 121298620

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 123795126) is 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccc2oc3ccc(-c4ccc5sc6nc7ccccc7n6c5c4)nc3c2n1.
What is the InChIKey of 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is SBJAOTBYGKCLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4OS/c1-13-6-9-19-22(25-13)23-20(29-19)10-8-15(26-23)14-7-11-21-18(12-14)28-17-5-3-2-4-16(17)27-24(28)30-21/h2-12H,1H3.
What are the key properties of 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 406.47 g/mol, XLogP of 6.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazolo[2,1-b][1,3]benzothiazol-2-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 123795126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).