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

C20H12N4O3 — CID 136843960

IUPAC2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
SMILESO=C(O)c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O
InChIInChI=1S/C20H12N4O3/c25-14-6-5-10(9-13(14)20(26)27)19-23-17-11-3-1-7-21-15(11)16-12(18(17)24-19)4-2-8-22-16/h1-9,25H,(H,23,24)(H,26,27)
InChIKeyHIELNBSUARCBLP-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.73
Rot. Bonds2

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

2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid (PubChem CID 136843960) has the molecular formula C20H12N4O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
PubChem CID136843960
Molecular FormulaC20H12N4O3
Molecular Weight356.34 g/mol
Exact Mass356.09
IUPAC Name2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
SMILESO=C(O)c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O
InChIInChI=1S/C20H12N4O3/c25-14-6-5-10(9-13(14)20(26)27)19-23-17-11-3-1-7-21-15(11)16-12(18(17)24-19)4-2-8-22-16/h1-9,25H,(H,23,24)(H,26,27)
InChIKeyHIELNBSUARCBLP-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
[2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 2125453
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
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
4-((4-(1h-Imidazo[4,5-f][1,10]phenanthroline-2-yl)phenoxy)methyl)benzaldehyde
CID 129867660
1-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol
CID 136912148
(Benzene-1,2-dicarboxylato)bis[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol]manganese(II)
CID 139070438
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
2-Hydroxy-3-(1h-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 171905356
5-fluoro-2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
CID 136055185

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid (CID 136843960) is 2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid is O=C(O)c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid?
The InChIKey is HIELNBSUARCBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3/c25-14-6-5-10(9-13(14)20(26)27)19-23-17-11-3-1-7-21-15(11)16-12(18(17)24-19)4-2-8-22-16/h1-9,25H,(H,23,24)(H,26,27).
What are the key properties of 2-hydroxy-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid?
2-hydroxy-5-(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-5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid is sourced from PubChem (CID 136843960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).