2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole

C27H18N2O — CID 59691075

IUPAC2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2ccc(-c3c(-c4ccccc4)nc4oc5ccccc5n34)cc2)cc1
InChIInChI=1S/C27H18N2O/c1-3-9-19(10-4-1)20-15-17-22(18-16-20)26-25(21-11-5-2-6-12-21)28-27-29(26)23-13-7-8-14-24(23)30-27/h1-18H
InChIKeyMJPJYDMPRQLSDW-UHFFFAOYSA-N
MW386.45 g/mol
LogP7.08
Rot. Bonds3

About 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole

2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole (PubChem CID 59691075) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
PubChem CID59691075
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2ccc(-c3c(-c4ccccc4)nc4oc5ccccc5n34)cc2)cc1
InChIInChI=1S/C27H18N2O/c1-3-9-19(10-4-1)20-15-17-22(18-16-20)26-25(21-11-5-2-6-12-21)28-27-29(26)23-13-7-8-14-24(23)30-27/h1-18H
InChIKeyMJPJYDMPRQLSDW-UHFFFAOYSA-N
XLogP7.08
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole (CID 59691075) is 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2ccc(-c3c(-c4ccccc4)nc4oc5ccccc5n34)cc2)cc1.
What is the InChIKey of 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is MJPJYDMPRQLSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c1-3-9-19(10-4-1)20-15-17-22(18-16-20)26-25(21-11-5-2-6-12-21)28-27-29(26)23-13-7-8-14-24(23)30-27/h1-18H.
What are the key properties of 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole?
2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 386.45 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59691075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).