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

C24H20N2O — CID 59691113

IUPAC2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole
SMILESCC(C)c1ccc(-c2c(-c3ccccc3)nc3oc4ccccc4n23)cc1
InChIInChI=1S/C24H20N2O/c1-16(2)17-12-14-19(15-13-17)23-22(18-8-4-3-5-9-18)25-24-26(23)20-10-6-7-11-21(20)27-24/h3-16H,1-2H3
InChIKeyNWBZWMABFSPFMV-UHFFFAOYSA-N
MW352.44 g/mol
LogP6.54
Rot. Bonds3

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

2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole (PubChem CID 59691113) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole
PubChem CID59691113
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole
SMILESCC(C)c1ccc(-c2c(-c3ccccc3)nc3oc4ccccc4n23)cc1
InChIInChI=1S/C24H20N2O/c1-16(2)17-12-14-19(15-13-17)23-22(18-8-4-3-5-9-18)25-24-26(23)20-10-6-7-11-21(20)27-24/h3-16H,1-2H3
InChIKeyNWBZWMABFSPFMV-UHFFFAOYSA-N
XLogP6.54
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 56.54
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-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole (CID 59691113) is 2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole is CC(C)c1ccc(-c2c(-c3ccccc3)nc3oc4ccccc4n23)cc1.
What is the InChIKey of 2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is NWBZWMABFSPFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-16(2)17-12-14-19(15-13-17)23-22(18-8-4-3-5-9-18)25-24-26(23)20-10-6-7-11-21(20)27-24/h3-16H,1-2H3.
What are the key properties of 2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole?
2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 352.44 g/mol, XLogP of 6.54, 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-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59691113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).