N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide

C24H16N4O4 — CID 4568237

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C24H16N4O4/c29-24(22-14-13-21(32-22)17-5-1-4-8-20(17)28(30)31)25-16-11-9-15(10-12-16)23-26-18-6-2-3-7-19(18)27-23/h1-14H,(H,25,29)(H,26,27)
InChIKeyAOSQWDLFMNKWIC-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.65
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 4568237) has the molecular formula C24H16N4O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID4568237
Molecular FormulaC24H16N4O4
Molecular Weight424.42 g/mol
Exact Mass424.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C24H16N4O4/c29-24(22-14-13-21(32-22)17-5-1-4-8-20(17)28(30)31)25-16-11-9-15(10-12-16)23-26-18-6-2-3-7-19(18)27-23/h1-14H,(H,25,29)(H,26,27)
InChIKeyAOSQWDLFMNKWIC-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'}

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Related Compounds

N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1348898
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 23937936
ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate
CID 1347194
5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
CID 17219688
2-nitro-N-[4-[5-[2-[4-[(2-nitrobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 135928290
N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 23880882
N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2953584
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 4020168
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide (CID 4568237) is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is AOSQWDLFMNKWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O4/c29-24(22-14-13-21(32-22)17-5-1-4-8-20(17)28(30)31)25-16-11-9-15(10-12-16)23-26-18-6-2-3-7-19(18)27-23/h1-14H,(H,25,29)(H,26,27).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-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-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 4568237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).