[5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid

C16H12N3O4P — CID 22459942

IUPAC[5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid
SMILESO=P(O)(O)c1ccc(-c2nc3ccccc3n2-c2ccncc2)o1
InChIInChI=1S/C16H12N3O4P/c20-24(21,22)15-6-5-14(23-15)16-18-12-3-1-2-4-13(12)19(16)11-7-9-17-10-8-11/h1-10H,(H2,20,21,22)
InChIKeyOHKIZAXKPCRBKZ-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.48
Rot. Bonds3

About [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid

[5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid (PubChem CID 22459942) has the molecular formula C16H12N3O4P and a molecular weight of 341.26 g/mol. Its IUPAC name is [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid
PubChem CID22459942
Molecular FormulaC16H12N3O4P
Molecular Weight341.26 g/mol
Exact Mass341.06
IUPAC Name[5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid
SMILESO=P(O)(O)c1ccc(-c2nc3ccccc3n2-c2ccncc2)o1
InChIInChI=1S/C16H12N3O4P/c20-24(21,22)15-6-5-14(23-15)16-18-12-3-1-2-4-13(12)19(16)11-7-9-17-10-8-11/h1-10H,(H2,20,21,22)
InChIKeyOHKIZAXKPCRBKZ-UHFFFAOYSA-N
XLogP2.48
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid
CID 25029959
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
[5-[1-(4-aminobutyl)-6-chlorobenzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459906
2-[3,5-bis[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
CID 155179345
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459930
1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
CID 78166390
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
2-butoxy-1-pyridin-4-ylbenzimidazole
CID 20535846
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
CID 58947640

Frequently Asked Questions

What is the IUPAC name of [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid?
The IUPAC name of [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid (CID 22459942) is [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid?
The canonical SMILES for [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid is O=P(O)(O)c1ccc(-c2nc3ccccc3n2-c2ccncc2)o1.
What is the InChIKey of [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid?
The InChIKey is OHKIZAXKPCRBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N3O4P/c20-24(21,22)15-6-5-14(23-15)16-18-12-3-1-2-4-13(12)19(16)11-7-9-17-10-8-11/h1-10H,(H2,20,21,22).
What are the key properties of [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid?
[5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid has a molecular weight of 341.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid is sourced from PubChem (CID 22459942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).