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

C17H11BrN4O2 — CID 46453605

IUPAC7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H11BrN4O2/c18-13-3-1-2-11-8-14(24-16(11)13)17(23)21-12-4-5-15(20-9-12)22-7-6-19-10-22/h1-10H,(H,21,23)
InChIKeyMBFWSHDNSOXXFD-UHFFFAOYSA-N
MW383.21 g/mol
LogP4.03
Rot. Bonds3

About 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide

7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 46453605) has the molecular formula C17H11BrN4O2 and a molecular weight of 383.21 g/mol. Its IUPAC name is 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID46453605
Molecular FormulaC17H11BrN4O2
Molecular Weight383.21 g/mol
Exact Mass382.01
IUPAC Name7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H11BrN4O2/c18-13-3-1-2-11-8-14(24-16(11)13)17(23)21-12-4-5-15(20-9-12)22-7-6-19-10-22/h1-10H,(H,21,23)
InChIKeyMBFWSHDNSOXXFD-UHFFFAOYSA-N
XLogP4.03
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 35437680
7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 46468257
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide
CID 97220819
2-chloro-N-(6-imidazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 106685994
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38887772

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 46453605) is 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is MBFWSHDNSOXXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O2/c18-13-3-1-2-11-8-14(24-16(11)13)17(23)21-12-4-5-15(20-9-12)22-7-6-19-10-22/h1-10H,(H,21,23).
What are the key properties of 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 383.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46453605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).