aminophosphonic acid;4-nitro-1H-benzimidazole

C7H9N4O5P — CID 66650456

IUPACaminophosphonic acid;4-nitro-1H-benzimidazole
SMILESNP(=O)(O)O.O=[N+]([O-])c1cccc2[nH]cnc12
InChIInChI=1S/C7H5N3O2.H4NO3P/c11-10(12)6-3-1-2-5-7(6)9-4-8-5;1-5(2,3)4/h1-4H,(H,8,9);(H4,1,2,3,4)
InChIKeyJRTXBRPKDAKSSH-UHFFFAOYSA-N
MW260.15 g/mol
LogP0.51
Rot. Bonds1

About aminophosphonic acid;4-nitro-1H-benzimidazole

aminophosphonic acid;4-nitro-1H-benzimidazole (PubChem CID 66650456) has the molecular formula C7H9N4O5P and a molecular weight of 260.15 g/mol. Its IUPAC name is aminophosphonic acid;4-nitro-1H-benzimidazole.

Molecular Properties

Compound Nameaminophosphonic acid;4-nitro-1H-benzimidazole
PubChem CID66650456
Molecular FormulaC7H9N4O5P
Molecular Weight260.15 g/mol
Exact Mass260.03
IUPAC Nameaminophosphonic acid;4-nitro-1H-benzimidazole
SMILESNP(=O)(O)O.O=[N+]([O-])c1cccc2[nH]cnc12
InChIInChI=1S/C7H5N3O2.H4NO3P/c11-10(12)6-3-1-2-5-7(6)9-4-8-5;1-5(2,3)4/h1-4H,(H,8,9);(H4,1,2,3,4)
InChIKeyJRTXBRPKDAKSSH-UHFFFAOYSA-N
XLogP0.51
TPSA155.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze aminophosphonic acid;4-nitro-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of aminophosphonic acid;4-nitro-1H-benzimidazole?
The IUPAC name of aminophosphonic acid;4-nitro-1H-benzimidazole (CID 66650456) is aminophosphonic acid;4-nitro-1H-benzimidazole.
What is the SMILES notation for aminophosphonic acid;4-nitro-1H-benzimidazole?
The canonical SMILES for aminophosphonic acid;4-nitro-1H-benzimidazole is NP(=O)(O)O.O=[N+]([O-])c1cccc2[nH]cnc12.
What is the InChIKey of aminophosphonic acid;4-nitro-1H-benzimidazole?
The InChIKey is JRTXBRPKDAKSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2.H4NO3P/c11-10(12)6-3-1-2-5-7(6)9-4-8-5;1-5(2,3)4/h1-4H,(H,8,9);(H4,1,2,3,4).
What are the key properties of aminophosphonic acid;4-nitro-1H-benzimidazole?
aminophosphonic acid;4-nitro-1H-benzimidazole has a molecular weight of 260.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonic acid;4-nitro-1H-benzimidazole is sourced from PubChem (CID 66650456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).