N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

C22H15N3O2 — CID 1108445

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc2ccccc2o1
InChIInChI=1S/C22H15N3O2/c26-22(20-13-14-6-1-4-11-19(14)27-20)23-16-8-5-7-15(12-16)21-24-17-9-2-3-10-18(17)25-21/h1-13H,(H,23,26)(H,24,25)
InChIKeyLUPIYRVIUVLBCY-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.23
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1108445) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1108445
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc2ccccc2o1
InChIInChI=1S/C22H15N3O2/c26-22(20-13-14-6-1-4-11-19(14)27-20)23-16-8-5-7-15(12-16)21-24-17-9-2-3-10-18(17)25-21/h1-13H,(H,23,26)(H,24,25)
InChIKeyLUPIYRVIUVLBCY-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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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
CID 4655949
N-[3-(1H-benzimidazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888796
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 6496846
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17104325
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 1300314
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide
CID 44530614
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 1108445) is N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is LUPIYRVIUVLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c26-22(20-13-14-6-1-4-11-19(14)27-20)23-16-8-5-7-15(12-16)21-24-17-9-2-3-10-18(17)25-21/h1-13H,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[3-(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-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1108445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).