N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide

C18H12N4O5 — CID 59754517

IUPACN-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2n1O)c1ccoc1
InChIInChI=1S/C18H12N4O5/c23-18(11-7-8-27-10-11)20-14-4-2-1-3-13(14)17-19-15-6-5-12(22(25)26)9-16(15)21(17)24/h1-10,24H,(H,20,23)
InChIKeyZUTIZGRDMWLBQI-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide

N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide (PubChem CID 59754517) has the molecular formula C18H12N4O5 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide
PubChem CID59754517
Molecular FormulaC18H12N4O5
Molecular Weight364.32 g/mol
Exact Mass364.08
IUPAC NameN-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2n1O)c1ccoc1
InChIInChI=1S/C18H12N4O5/c23-18(11-7-8-27-10-11)20-14-4-2-1-3-13(14)17-19-15-6-5-12(22(25)26)9-16(15)21(17)24/h1-10,24H,(H,20,23)
InChIKeyZUTIZGRDMWLBQI-UHFFFAOYSA-N
XLogP3.69
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide (CID 59754517) is N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide is O=C(Nc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2n1O)c1ccoc1.
What is the InChIKey of N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide?
The InChIKey is ZUTIZGRDMWLBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O5/c23-18(11-7-8-27-10-11)20-14-4-2-1-3-13(14)17-19-15-6-5-12(22(25)26)9-16(15)21(17)24/h1-10,24H,(H,20,23).
What are the key properties of N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide?
N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide has a molecular weight of 364.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 59754517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).