7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole

C21H14N2O — CID 126749602

IUPAC7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1ccc(-c2cccc(-c3ccc4nc5occn5c4c3)c2)cc1
InChIInChI=1S/C21H14N2O/c1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-19-20(14-18)23-11-12-24-21(23)22-19/h1-14H
InChIKeyOYHXSQJQCOPNFL-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.41
Rot. Bonds2

About 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole

7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 126749602) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID126749602
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1ccc(-c2cccc(-c3ccc4nc5occn5c4c3)c2)cc1
InChIInChI=1S/C21H14N2O/c1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-19-20(14-18)23-11-12-24-21(23)22-19/h1-14H
InChIKeyOYHXSQJQCOPNFL-UHFFFAOYSA-N
XLogP5.41
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]oxazole
CID 59999932
9-phenylbenzimidazolo[2,1-a]isoquinoline
CID 58518009
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole
CID 155307576
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole
CID 154624038
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874105
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456

Frequently Asked Questions

What is the IUPAC name of 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole (CID 126749602) is 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole is c1ccc(-c2cccc(-c3ccc4nc5occn5c4c3)c2)cc1.
What is the InChIKey of 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is OYHXSQJQCOPNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-19-20(14-18)23-11-12-24-21(23)22-19/h1-14H.
What are the key properties of 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole?
7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 310.36 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).