2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C34H18N8O2 — CID 118532536

IUPAC2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc2c(c1)nc1n(-c3nc4cc5oc(-n6c7ccccc7n7c8ccccc8nc67)nc5cc4o3)c3ccccc3n21
InChIInChI=1S/C34H18N8O2/c1-3-11-23-19(9-1)35-31-39(23)25-13-5-7-15-27(25)41(31)33-37-21-17-30-22(18-29(21)43-33)38-34(44-30)42-28-16-8-6-14-26(28)40-24-12-4-2-10-20(24)36-32(40)42/h1-18H
InChIKeyKVAJFZQXVPWBMG-UHFFFAOYSA-N
MW570.57 g/mol
LogP7.46
Rot. Bonds2

About 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole

2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 118532536) has the molecular formula C34H18N8O2 and a molecular weight of 570.57 g/mol. Its IUPAC name is 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID118532536
Molecular FormulaC34H18N8O2
Molecular Weight570.57 g/mol
Exact Mass570.16
IUPAC Name2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc2c(c1)nc1n(-c3nc4cc5oc(-n6c7ccccc7n7c8ccccc8nc67)nc5cc4o3)c3ccccc3n21
InChIInChI=1S/C34H18N8O2/c1-3-11-23-19(9-1)35-31-39(23)25-13-5-7-15-27(25)41(31)33-37-21-17-30-22(18-29(21)43-33)38-34(44-30)42-28-16-8-6-14-26(28)40-24-12-4-2-10-20(24)36-32(40)42/h1-18H
InChIKeyKVAJFZQXVPWBMG-UHFFFAOYSA-N
XLogP7.46
TPSA96.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 118532536) is 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole is c1ccc2c(c1)nc1n(-c3nc4cc5oc(-n6c7ccccc7n7c8ccccc8nc67)nc5cc4o3)c3ccccc3n21.
What is the InChIKey of 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is KVAJFZQXVPWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N8O2/c1-3-11-23-19(9-1)35-31-39(23)25-13-5-7-15-27(25)41(31)33-37-21-17-30-22(18-29(21)43-33)38-34(44-30)42-28-16-8-6-14-26(28)40-24-12-4-2-10-20(24)36-32(40)42/h1-18H.
What are the key properties of 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 570.57 g/mol, XLogP of 7.46, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 118532536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).