5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol

C28H19N3O — CID 71036736

IUPAC5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol
SMILESOc1ccc(-c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2)c2cccnc12
InChIInChI=1S/C28H19N3O/c32-26-16-15-22(23-12-7-17-29-27(23)26)19-8-6-9-20(18-19)28-30-24-13-4-5-14-25(24)31(28)21-10-2-1-3-11-21/h1-18,32H
InChIKeyALWSDLMGSJYWHP-UHFFFAOYSA-N
MW413.48 g/mol
LogP6.61
Rot. Bonds3

About 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol

5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol (PubChem CID 71036736) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol
PubChem CID71036736
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol
SMILESOc1ccc(-c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2)c2cccnc12
InChIInChI=1S/C28H19N3O/c32-26-16-15-22(23-12-7-17-29-27(23)26)19-8-6-9-20(18-19)28-30-24-13-4-5-14-25(24)31(28)21-10-2-1-3-11-21/h1-18,32H
InChIKeyALWSDLMGSJYWHP-UHFFFAOYSA-N
XLogP6.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol?
The IUPAC name of 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol (CID 71036736) is 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol.
What is the SMILES notation for 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol?
The canonical SMILES for 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol is Oc1ccc(-c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2)c2cccnc12.
What is the InChIKey of 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol?
The InChIKey is ALWSDLMGSJYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c32-26-16-15-22(23-12-7-17-29-27(23)26)19-8-6-9-20(18-19)28-30-24-13-4-5-14-25(24)31(28)21-10-2-1-3-11-21/h1-18,32H.
What are the key properties of 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol?
5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol has a molecular weight of 413.48 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol is sourced from PubChem (CID 71036736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).