2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid

C20H12N4O3 — CID 171905356

IUPAC2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O
InChIInChI=1S/C20H12N4O3/c25-18-12(4-1-5-13(18)20(26)27)19-23-16-10-6-2-8-21-14(10)15-11(17(16)24-19)7-3-9-22-15/h1-9,25H,(H,23,24)(H,26,27)
InChIKeyZMYNCKDSHLSYJJ-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.73
Rot. Bonds2

About 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid

2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid (PubChem CID 171905356) has the molecular formula C20H12N4O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
PubChem CID171905356
Molecular FormulaC20H12N4O3
Molecular Weight356.34 g/mol
Exact Mass356.09
IUPAC Name2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O
InChIInChI=1S/C20H12N4O3/c25-18-12(4-1-5-13(18)20(26)27)19-23-16-10-6-2-8-21-14(10)15-11(17(16)24-19)7-3-9-22-15/h1-9,25H,(H,23,24)(H,26,27)
InChIKeyZMYNCKDSHLSYJJ-UHFFFAOYSA-N
XLogP3.73
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Hydroxyphenyl)imidazo(4,5-f)(1,10)phenanthroline
CID 135934901
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
4-[3-(4-Fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]benzoic acid
CID 175549855
2-(3-Carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline
CID 58250257
2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]benzoic acid
CID 102197263
2-Hydroxy-5-(1h-imidazo[4,5-f][1,10]phenanthrolin-2-yl) benzoic acid
CID 136843960
1-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol
CID 136912148
2-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol monohydrate
CID 139074819
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid;trihydrate
CID 139142318
5-fluoro-2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
CID 136055185
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one
CID 25134547
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
CID 46866547

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid (CID 171905356) is 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid is O=C(O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.
What is the InChIKey of 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid?
The InChIKey is ZMYNCKDSHLSYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3/c25-18-12(4-1-5-13(18)20(26)27)19-23-16-10-6-2-8-21-14(10)15-11(17(16)24-19)7-3-9-22-15/h1-9,25H,(H,23,24)(H,26,27).
What are the key properties of 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid?
2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid has a molecular weight of 356.34 g/mol, XLogP of 3.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid is sourced from PubChem (CID 171905356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).