4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide

C18H11FIN3O2 — CID 55946378

IUPAC4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(F)cc1I
InChIInChI=1S/C18H11FIN3O2/c19-10-3-5-12(13(20)8-10)18(24)21-11-4-6-14-15(9-11)23-17(22-14)16-2-1-7-25-16/h1-9H,(H,21,24)(H,22,23)
InChIKeyPFPGYOAJSDPSTK-UHFFFAOYSA-N
MW447.21 g/mol
LogP4.82
Rot. Bonds3

About 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide

4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide (PubChem CID 55946378) has the molecular formula C18H11FIN3O2 and a molecular weight of 447.21 g/mol. Its IUPAC name is 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
PubChem CID55946378
Molecular FormulaC18H11FIN3O2
Molecular Weight447.21 g/mol
Exact Mass446.99
IUPAC Name4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(F)cc1I
InChIInChI=1S/C18H11FIN3O2/c19-10-3-5-12(13(20)8-10)18(24)21-11-4-6-14-15(9-11)23-17(22-14)16-2-1-7-25-16/h1-9H,(H,21,24)(H,22,23)
InChIKeyPFPGYOAJSDPSTK-UHFFFAOYSA-N
XLogP4.82
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.21
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
CID 60557174
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47066056
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119843774
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 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide?
The IUPAC name of 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide (CID 55946378) is 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide?
The canonical SMILES for 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide is O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide?
The InChIKey is PFPGYOAJSDPSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FIN3O2/c19-10-3-5-12(13(20)8-10)18(24)21-11-4-6-14-15(9-11)23-17(22-14)16-2-1-7-25-16/h1-9H,(H,21,24)(H,22,23).
What are the key properties of 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide?
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide has a molecular weight of 447.21 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide is sourced from PubChem (CID 55946378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).