N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

C22H15N3O2 — CID 1108446

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H15N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-13H,(H,23,26)(H,24,25)
InChIKeyGDEGWMCLQDGQFV-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.23
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1108446) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1108446
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H15N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-13H,(H,23,26)(H,24,25)
InChIKeyGDEGWMCLQDGQFV-UHFFFAOYSA-N
XLogP5.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 1108446) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GDEGWMCLQDGQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-13H,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1108446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).