2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole

C25H16N2O — CID 59691080

IUPAC2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2c(-c3cccc4ccccc34)nc3oc4ccccc4n23)cc1
InChIInChI=1S/C25H16N2O/c1-2-10-18(11-3-1)24-23(20-14-8-12-17-9-4-5-13-19(17)20)26-25-27(24)21-15-6-7-16-22(21)28-25/h1-16H
InChIKeyHFQVPKUQBFQZCT-UHFFFAOYSA-N
MW360.42 g/mol
LogP6.57
Rot. Bonds2

About 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole

2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole (PubChem CID 59691080) has the molecular formula C25H16N2O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole
PubChem CID59691080
Molecular FormulaC25H16N2O
Molecular Weight360.42 g/mol
Exact Mass360.13
IUPAC Name2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2c(-c3cccc4ccccc34)nc3oc4ccccc4n23)cc1
InChIInChI=1S/C25H16N2O/c1-2-10-18(11-3-1)24-23(20-14-8-12-17-9-4-5-13-19(17)20)26-25-27(24)21-15-6-7-16-22(21)28-25/h1-16H
InChIKeyHFQVPKUQBFQZCT-UHFFFAOYSA-N
XLogP6.57
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole
CID 59691057
N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline
CID 59691150
2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691113
2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539222
1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole
CID 59691239
1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539162
2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539192
2-carbazol-9-yl-1-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 71109289
3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine
CID 170530705
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502958

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole (CID 59691080) is 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2c(-c3cccc4ccccc34)nc3oc4ccccc4n23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole?
The InChIKey is HFQVPKUQBFQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O/c1-2-10-18(11-3-1)24-23(20-14-8-12-17-9-4-5-13-19(17)20)26-25-27(24)21-15-6-7-16-22(21)28-25/h1-16H.
What are the key properties of 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole?
2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole has a molecular weight of 360.42 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59691080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).