2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide

C18H12FN3O2 — CID 174567423

IUPAC2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2[nH]c(-c3ccc(F)o3)nc12
InChIInChI=1S/C18H12FN3O2/c19-15-10-9-14(24-15)17-21-13-8-4-7-12(16(13)22-17)18(23)20-11-5-2-1-3-6-11/h1-10H,(H,20,23)(H,21,22)
InChIKeyRBPTYHBDARATKZ-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.21
Rot. Bonds3

About 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide

2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide (PubChem CID 174567423) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide
PubChem CID174567423
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2[nH]c(-c3ccc(F)o3)nc12
InChIInChI=1S/C18H12FN3O2/c19-15-10-9-14(24-15)17-21-13-8-4-7-12(16(13)22-17)18(23)20-11-5-2-1-3-6-11/h1-10H,(H,20,23)(H,21,22)
InChIKeyRBPTYHBDARATKZ-UHFFFAOYSA-N
XLogP4.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
N-(2-bromophenyl)-2-(5-nitrofuran-2-yl)-1H-benzimidazole-4-carboxamide
CID 174567416
2-(5-ethylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 79093987
N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701119
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide
CID 135936848
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
CID 110700914
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279357
N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 46843789
N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 88946343
2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701230

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide (CID 174567423) is 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide is O=C(Nc1ccccc1)c1cccc2[nH]c(-c3ccc(F)o3)nc12.
What is the InChIKey of 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide?
The InChIKey is RBPTYHBDARATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-15-10-9-14(24-15)17-21-13-8-4-7-12(16(13)22-17)18(23)20-11-5-2-1-3-6-11/h1-10H,(H,20,23)(H,21,22).
What are the key properties of 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide?
2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorofuran-2-yl)-N-phenyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 174567423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).