N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide

C18H11FN4O4 — CID 174567441

IUPACN-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12
InChIInChI=1S/C18H11FN4O4/c19-10-4-6-11(7-5-10)20-18(24)12-2-1-3-13-16(12)22-17(21-13)14-8-9-15(27-14)23(25)26/h1-9H,(H,20,24)(H,21,22)
InChIKeyIGUUYTXVNSUVJW-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.12
Rot. Bonds4

About N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide

N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 174567441) has the molecular formula C18H11FN4O4 and a molecular weight of 366.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID174567441
Molecular FormulaC18H11FN4O4
Molecular Weight366.31 g/mol
Exact Mass366.08
IUPAC NameN-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12
InChIInChI=1S/C18H11FN4O4/c19-10-4-6-11(7-5-10)20-18(24)12-2-1-3-13-16(12)22-17(21-13)14-8-9-15(27-14)23(25)26/h1-9H,(H,20,24)(H,21,22)
InChIKeyIGUUYTXVNSUVJW-UHFFFAOYSA-N
XLogP4.12
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide (CID 174567441) is N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12.
What is the InChIKey of N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is IGUUYTXVNSUVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O4/c19-10-4-6-11(7-5-10)20-18(24)12-2-1-3-13-16(12)22-17(21-13)14-8-9-15(27-14)23(25)26/h1-9H,(H,20,24)(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide?
N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 366.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 174567441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).