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

C19H14N4O2 — CID 139074819

IUPAC2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate
SMILESO.Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C19H12N4O.H2O/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;/h1-10,24H,(H,22,23);1H2
InChIKeyYDYOHKAAULFCRL-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.21
Rot. Bonds1

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

2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate (PubChem CID 139074819) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate
PubChem CID139074819
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate
SMILESO.Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C19H12N4O.H2O/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;/h1-10,24H,(H,22,23);1H2
InChIKeyYDYOHKAAULFCRL-UHFFFAOYSA-N
XLogP3.21
TPSA106.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-[6-(2-hydroxy-phenyl)-pyridin-3-ylmethyl]-9H-purine-2,6-diamine
CID 136219283
2-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol
CID 44613353
2-[5-[[2-[(4-Aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2-pyridinyl]phenol
CID 155539272
2-Methyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168274980
2,6-Dimethyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168280997
2-Phenylimidazo(4,5-f)(1,10)phenanthroline
CID 12058770
2-(4-Methoxyphenyl)-1h-imidazo[4,5-f][1,10]phenanthroline
CID 46206197
2-(4-Methylphenyl)imidazo(4,5-f)1,10-phenanthroline
CID 50916710
2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 57396109

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate?
The IUPAC name of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate (CID 139074819) is 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate.
What is the SMILES notation for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate?
The canonical SMILES for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate is O.Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.
What is the InChIKey of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate?
The InChIKey is YDYOHKAAULFCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O.H2O/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;/h1-10,24H,(H,22,23);1H2.
What are the key properties of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate?
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate has a molecular weight of 330.35 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol;hydrate is sourced from PubChem (CID 139074819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).