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

C33H18N6O4 — CID 126749705

IUPAC1-([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
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occ(Oc5coc6nc7ccccc7n56)n4c3c2)c1
InChIInChI=1S/C33H18N6O4/c1-2-7-26-23(6-1)35-32-38(26)29(17-41-32)43-30-18-42-33-36-25-11-9-22(16-28(25)39(30)33)20-5-3-4-19(14-20)21-8-10-24-27(15-21)37-12-13-40-31(37)34-24/h1-18H
InChIKeyPHWBHMISZWMHBO-UHFFFAOYSA-N
MW562.55 g/mol
LogP7.99
Rot. Bonds4

About 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

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 (PubChem CID 126749705) has the molecular formula C33H18N6O4 and a molecular weight of 562.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-([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
PubChem CID126749705
Molecular FormulaC33H18N6O4
Molecular Weight562.55 g/mol
Exact Mass562.14
IUPAC Name1-([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
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occ(Oc5coc6nc7ccccc7n56)n4c3c2)c1
InChIInChI=1S/C33H18N6O4/c1-2-7-26-23(6-1)35-32-38(26)29(17-41-32)43-30-18-42-33-36-25-11-9-22(16-28(25)39(30)33)20-5-3-4-19(14-20)21-8-10-24-27(15-21)37-12-13-40-31(37)34-24/h1-18H
InChIKeyPHWBHMISZWMHBO-UHFFFAOYSA-N
XLogP7.99
TPSA100.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.55
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occ(Oc5coc6nc7ccccc7n56)n4c3c2)c1.
What is the InChIKey of 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?
The InChIKey is PHWBHMISZWMHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N6O4/c1-2-7-26-23(6-1)35-32-38(26)29(17-41-32)43-30-18-42-33-36-25-11-9-22(16-28(25)39(30)33)20-5-3-4-19(14-20)21-8-10-24-27(15-21)37-12-13-40-31(37)34-24/h1-18H.
What are the key properties of 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?
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 has a molecular weight of 562.55 g/mol, XLogP of 7.99, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126749705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).