5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide

C12H8N4O5 — CID 4643764

IUPAC5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H8N4O5/c17-11(9-3-4-10(21-9)16(19)20)13-6-1-2-7-8(5-6)15-12(18)14-7/h1-5H,(H,13,17)(H2,14,15,18)
InChIKeyUECSQGPEBVKMMB-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.61
Rot. Bonds3

About 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide

5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide (PubChem CID 4643764) has the molecular formula C12H8N4O5 and a molecular weight of 288.22 g/mol. Its IUPAC name is 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
PubChem CID4643764
Molecular FormulaC12H8N4O5
Molecular Weight288.22 g/mol
Exact Mass288.05
IUPAC Name5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H8N4O5/c17-11(9-3-4-10(21-9)16(19)20)13-6-1-2-7-8(5-6)15-12(18)14-7/h1-5H,(H,13,17)(H2,14,15,18)
InChIKeyUECSQGPEBVKMMB-UHFFFAOYSA-N
XLogP1.61
TPSA134.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.61
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
N-(3-bromo-4-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113230544
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
CID 60557174
3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 3863053
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
5-(3-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
CID 17102575
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
CID 26017452

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide (CID 4643764) is 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is UECSQGPEBVKMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O5/c17-11(9-3-4-10(21-9)16(19)20)13-6-1-2-7-8(5-6)15-12(18)14-7/h1-5H,(H,13,17)(H2,14,15,18).
What are the key properties of 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide?
5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 288.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 4643764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).