N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide

C24H16N4O4 — CID 2982958

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C24H16N4O4/c29-24(22-12-11-21(32-22)15-5-4-8-18(14-15)28(30)31)25-17-7-3-6-16(13-17)23-26-19-9-1-2-10-20(19)27-23/h1-14H,(H,25,29)(H,26,27)
InChIKeyWFFOKMJIJCTCBD-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.65
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 2982958) has the molecular formula C24H16N4O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID2982958
Molecular FormulaC24H16N4O4
Molecular Weight424.42 g/mol
Exact Mass424.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C24H16N4O4/c29-24(22-12-11-21(32-22)15-5-4-8-18(14-15)28(30)31)25-17-7-3-6-16(13-17)23-26-19-9-1-2-10-20(19)27-23/h1-14H,(H,25,29)(H,26,27)
InChIKeyWFFOKMJIJCTCBD-UHFFFAOYSA-N
XLogP5.65
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide 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 N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide (CID 2982958) is N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is WFFOKMJIJCTCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O4/c29-24(22-12-11-21(32-22)15-5-4-8-18(14-15)28(30)31)25-17-7-3-6-16(13-17)23-26-19-9-1-2-10-20(19)27-23/h1-14H,(H,25,29)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2982958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).