N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide

C17H12N4O2 — CID 35437680

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2o1
InChIInChI=1S/C17H12N4O2/c22-17(15-9-12-3-1-2-4-14(12)23-15)20-13-5-6-16(19-10-13)21-8-7-18-11-21/h1-11H,(H,20,22)
InChIKeyJIWQNBFZOAWVAC-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.27
Rot. Bonds3

About N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide

N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 35437680) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID35437680
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2o1
InChIInChI=1S/C17H12N4O2/c22-17(15-9-12-3-1-2-4-14(12)23-15)20-13-5-6-16(19-10-13)21-8-7-18-11-21/h1-11H,(H,20,22)
InChIKeyJIWQNBFZOAWVAC-UHFFFAOYSA-N
XLogP3.27
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 46453605
(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide
CID 97220819
N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617847
2-chloro-N-(6-imidazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 106685994
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
CID 39567819
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 35438277
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564893
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
CID 122312047
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 35437680) is N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2o1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is JIWQNBFZOAWVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-17(15-9-12-3-1-2-4-14(12)23-15)20-13-5-6-16(19-10-13)21-8-7-18-11-21/h1-11H,(H,20,22).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35437680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).