5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide

C15H14N4O4 — CID 24980351

IUPAC5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide
SMILESCCCn1c(NC(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21
InChIInChI=1S/C15H14N4O4/c1-2-9-18-11-6-4-3-5-10(11)16-15(18)17-14(20)12-7-8-13(23-12)19(21)22/h3-8H,2,9H2,1H3,(H,16,17,20)
InChIKeyQXSUNGXUTAFLCR-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.20
Rot. Bonds5

About 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide

5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide (PubChem CID 24980351) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide
PubChem CID24980351
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide
SMILESCCCn1c(NC(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21
InChIInChI=1S/C15H14N4O4/c1-2-9-18-11-6-4-3-5-10(11)16-15(18)17-14(20)12-7-8-13(23-12)19(21)22/h3-8H,2,9H2,1H3,(H,16,17,20)
InChIKeyQXSUNGXUTAFLCR-UHFFFAOYSA-N
XLogP3.20
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-nitro-N-(1-propylbenzimidazol-2-yl)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 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide (CID 24980351) is 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide is CCCn1c(NC(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21.
What is the InChIKey of 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide?
The InChIKey is QXSUNGXUTAFLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-2-9-18-11-6-4-3-5-10(11)16-15(18)17-14(20)12-7-8-13(23-12)19(21)22/h3-8H,2,9H2,1H3,(H,16,17,20).
What are the key properties of 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide?
5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 24980351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).