2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C37H24N6O — CID 58480034

IUPAC2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4cccc(-c5nnc(-c6cccnc6)o5)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C37H24N6O/c1-2-13-32(14-3-1)43-34-16-5-4-15-33(34)40-35(43)31-21-29(20-30(22-31)27-11-7-17-38-23-27)25-9-6-10-26(19-25)36-41-42-37(44-36)28-12-8-18-39-24-28/h1-24H
InChIKeyVEQMORKUDASQSO-UHFFFAOYSA-N
MW568.64 g/mol
LogP8.53
Rot. Bonds6

About 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 58480034) has the molecular formula C37H24N6O and a molecular weight of 568.64 g/mol. Its IUPAC name is 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID58480034
Molecular FormulaC37H24N6O
Molecular Weight568.64 g/mol
Exact Mass568.20
IUPAC Name2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4cccc(-c5nnc(-c6cccnc6)o5)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C37H24N6O/c1-2-13-32(14-3-1)43-34-16-5-4-15-33(34)40-35(43)31-21-29(20-30(22-31)27-11-7-17-38-23-27)25-9-6-10-26(19-25)36-41-42-37(44-36)28-12-8-18-39-24-28/h1-24H
InChIKeyVEQMORKUDASQSO-UHFFFAOYSA-N
XLogP8.53
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.64
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 58480034) is 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole is c1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4cccc(-c5nnc(-c6cccnc6)o5)c4)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is VEQMORKUDASQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N6O/c1-2-13-32(14-3-1)43-34-16-5-4-15-33(34)40-35(43)31-21-29(20-30(22-31)27-11-7-17-38-23-27)25-9-6-10-26(19-25)36-41-42-37(44-36)28-12-8-18-39-24-28/h1-24H.
What are the key properties of 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 568.64 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 58480034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).