N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide

C16H10N4O5 — CID 60557174

IUPACN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H10N4O5/c21-16(13-5-6-14(25-13)20(22)23)17-9-3-4-10-11(8-9)19-15(18-10)12-2-1-7-24-12/h1-8H,(H,17,21)(H,18,19)
InChIKeyNXZBEWMPLRYRQO-UHFFFAOYSA-N
MW338.28 g/mol
LogP3.58
Rot. Bonds4

About N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide (PubChem CID 60557174) has the molecular formula C16H10N4O5 and a molecular weight of 338.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
PubChem CID60557174
Molecular FormulaC16H10N4O5
Molecular Weight338.28 g/mol
Exact Mass338.07
IUPAC NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H10N4O5/c21-16(13-5-6-14(25-13)20(22)23)17-9-3-4-10-11(8-9)19-15(18-10)12-2-1-7-24-12/h1-8H,(H,17,21)(H,18,19)
InChIKeyNXZBEWMPLRYRQO-UHFFFAOYSA-N
XLogP3.58
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 53.58
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
CID 4643764
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
N-[2-(1H-imidazol-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 171509852
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
2-(2-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 155963168
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 154832236

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide (CID 60557174) is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide is O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is NXZBEWMPLRYRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O5/c21-16(13-5-6-14(25-13)20(22)23)17-9-3-4-10-11(8-9)19-15(18-10)12-2-1-7-24-12/h1-8H,(H,17,21)(H,18,19).
What are the key properties of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide?
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 338.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 60557174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).