2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol

C25H16N2O — CID 155816575

IUPAC2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol
SMILESOc1ccccc1-c1nc2c(n1-c1ccccc1)-c1cccc3cccc-2c13
InChIInChI=1S/C25H16N2O/c28-21-15-5-4-12-18(21)25-26-23-19-13-6-8-16-9-7-14-20(22(16)19)24(23)27(25)17-10-2-1-3-11-17/h1-15,28H
InChIKeyDDXYKOQWQXLPNR-UHFFFAOYSA-N
MW360.42 g/mol
LogP6.05
Rot. Bonds2

About 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol

2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol (PubChem CID 155816575) has the molecular formula C25H16N2O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol.

Molecular Properties

Compound Name2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol
PubChem CID155816575
Molecular FormulaC25H16N2O
Molecular Weight360.42 g/mol
Exact Mass360.13
IUPAC Name2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol
SMILESOc1ccccc1-c1nc2c(n1-c1ccccc1)-c1cccc3cccc-2c13
InChIInChI=1S/C25H16N2O/c28-21-15-5-4-12-18(21)25-26-23-19-13-6-8-16-9-7-14-20(22(16)19)24(23)27(25)17-10-2-1-3-11-17/h1-15,28H
InChIKeyDDXYKOQWQXLPNR-UHFFFAOYSA-N
XLogP6.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol?
The IUPAC name of 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol (CID 155816575) is 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol.
What is the SMILES notation for 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol?
The canonical SMILES for 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol is Oc1ccccc1-c1nc2c(n1-c1ccccc1)-c1cccc3cccc-2c13.
What is the InChIKey of 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol?
The InChIKey is DDXYKOQWQXLPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O/c28-21-15-5-4-12-18(21)25-26-23-19-13-6-8-16-9-7-14-20(22(16)19)24(23)27(25)17-10-2-1-3-11-17/h1-15,28H.
What are the key properties of 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol?
2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol has a molecular weight of 360.42 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol is sourced from PubChem (CID 155816575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).