7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

C83H49N13O4S2 — CID 158274199

IUPAC7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occn4c3c2)c1.c1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-c3ccc4nc5sccn5c4c3)n2)c1.c1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4occn4c3c2)c1
InChIInChI=1S/C30H18N4OS.C29H17N5OS.C24H14N4O2/c1-3-19(15-21(5-1)23-7-9-25-27(17-23)33-11-13-35-29(33)31-25)20-4-2-6-22(16-20)24-8-10-26-28(18-24)34-12-14-36-30(34)32-26;1-3-18(19-7-9-24-26(16-19)33-11-13-35-28(33)31-24)15-20(4-1)22-5-2-6-23(30-22)21-8-10-25-27(17-21)34-12-14-36-29(34)32-25;1-2-15(17-4-6-19-21(13-17)27-8-10-29-23(27)25-19)12-16(3-1)18-5-7-20-22(14-18)28-9-11-30-24(28)26-20/h1-18H;1-17H;1-14H
InChIKeyGJKDXWREYINEQP-UHFFFAOYSA-N
MW1356.53 g/mol
LogP21.09
Rot. Bonds8

About 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 158274199) has the molecular formula C83H49N13O4S2 and a molecular weight of 1356.53 g/mol. Its IUPAC name is 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID158274199
Molecular FormulaC83H49N13O4S2
Molecular Weight1356.53 g/mol
Exact Mass1355.35
IUPAC Name7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occn4c3c2)c1.c1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-c3ccc4nc5sccn5c4c3)n2)c1.c1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4occn4c3c2)c1
InChIInChI=1S/C30H18N4OS.C29H17N5OS.C24H14N4O2/c1-3-19(15-21(5-1)23-7-9-25-27(17-23)33-11-13-35-29(33)31-25)20-4-2-6-22(16-20)24-8-10-26-28(18-24)34-12-14-36-30(34)32-26;1-3-18(19-7-9-24-26(16-19)33-11-13-35-28(33)31-24)15-20(4-1)22-5-2-6-23(30-22)21-8-10-25-27(17-21)34-12-14-36-29(34)32-25;1-2-15(17-4-6-19-21(13-17)27-8-10-29-23(27)25-19)12-16(3-1)18-5-7-20-22(14-18)28-9-11-30-24(28)26-20/h1-18H;1-17H;1-14H
InChIKeyGJKDXWREYINEQP-UHFFFAOYSA-N
XLogP21.09
TPSA169.25 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001356.53
LogP ≤ 521.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole with MolForge

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Related Compounds

5-(1,3-Benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 121350278
2-Methoxy-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
CID 126749604
1-Methoxy-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
CID 126749615
7-[3-[6-(3-Carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 126749696
7-[3-[6-([1,3]Thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 126749699
7-[3-[3-([1,3]Thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 126749700
7-[3-([1,3]Oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 126749701
2-([1,3]Oxazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 126749704
1-([1,3]Oxazolo[3,2-a]benzimidazol-1-yloxy)-7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 126749705
1-([1,3]Thiazolo[3,2-a]benzimidazol-1-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
CID 126749718
2-(3a,4-Dihydro-[1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
CID 126749720
2-([1,3]Thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
CID 126749884

Frequently Asked Questions

What is the IUPAC name of 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (CID 158274199) is 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is c1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occn4c3c2)c1.c1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-c3ccc4nc5sccn5c4c3)n2)c1.c1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4occn4c3c2)c1.
What is the InChIKey of 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is GJKDXWREYINEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4OS.C29H17N5OS.C24H14N4O2/c1-3-19(15-21(5-1)23-7-9-25-27(17-23)33-11-13-35-29(33)31-25)20-4-2-6-22(16-20)24-8-10-26-28(18-24)34-12-14-36-30(34)32-26;1-3-18(19-7-9-24-26(16-19)33-11-13-35-28(33)31-24)15-20(4-1)22-5-2-6-23(30-22)21-8-10-25-27(17-21)34-12-14-36-29(34)32-25;1-2-15(17-4-6-19-21(13-17)27-8-10-29-23(27)25-19)12-16(3-1)18-5-7-20-22(14-18)28-9-11-30-24(28)26-20/h1-18H;1-17H;1-14H.
What are the key properties of 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 1356.53 g/mol, XLogP of 21.09, 8 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 158274199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).