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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Related Compounds

2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol
CID 136716731
2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol
CID 137086249
2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol
CID 135879769
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
CID 142611847
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
CID 162783149
7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride
CID 71817886
5-methyl-3,13-diazahexacyclo[13.7.1.02,14.03,12.06,11.019,23]tricosa-1(22),2(14),4,6,8,10,12,15,17,19(23),20-undecaene
CID 58517905
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927
2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-12-yl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783704
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004

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).