2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol

C19H12N4O — CID 102496544

IUPAC2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
SMILESOc1ccccc1C1N=c2c(c3cccnc3c3ncccc23)=N1
InChIInChI=1S/C19H12N4O/c24-14-8-2-1-5-11(14)19-22-17-12-6-3-9-20-15(12)16-13(18(17)23-19)7-4-10-21-16/h1-10,19,24H
InChIKeyPCAHOTLYMIUWKY-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.44
Rot. Bonds1

About 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol

2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol (PubChem CID 102496544) has the molecular formula C19H12N4O and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol.

Molecular Properties

Compound Name2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
PubChem CID102496544
Molecular FormulaC19H12N4O
Molecular Weight312.33 g/mol
Exact Mass312.10
IUPAC Name2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
SMILESOc1ccccc1C1N=c2c(c3cccnc3c3ncccc23)=N1
InChIInChI=1S/C19H12N4O/c24-14-8-2-1-5-11(14)19-22-17-12-6-3-9-20-15(12)16-13(18(17)23-19)7-4-10-21-16/h1-10,19,24H
InChIKeyPCAHOTLYMIUWKY-UHFFFAOYSA-N
XLogP2.44
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

NoName_714
CID 135489221
2-[(Quinolin-8-ylamino)methyl]phenol
CID 890662
Phenol, p-[2-(4-quinolyl)vinyl]-
CID 741423
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
CID 155528448
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
4-[(E)-2-(2-hydroxyphenyl)vinyl]-1-methylquinolinium
CID 16194418
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
CID 73345796
2-[[(6-Phenyl-3-pyridinyl)amino]methyl]phenol
CID 122182763
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide
CID 155540041

Frequently Asked Questions

What is the IUPAC name of 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The IUPAC name of 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol (CID 102496544) is 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol.
What is the SMILES notation for 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The canonical SMILES for 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol is Oc1ccccc1C1N=c2c(c3cccnc3c3ncccc23)=N1.
What is the InChIKey of 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The InChIKey is PCAHOTLYMIUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O/c24-14-8-2-1-5-11(14)19-22-17-12-6-3-9-20-15(12)16-13(18(17)23-19)7-4-10-21-16/h1-10,19,24H.
What are the key properties of 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol has a molecular weight of 312.33 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol is sourced from PubChem (CID 102496544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).