N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide

C17H13N3O3 — CID 171676060

IUPACN-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc2ccc(O)cc2o1
InChIInChI=1S/C17H13N3O3/c21-11-6-5-10-7-15(23-14(10)8-11)17(22)18-9-16-19-12-3-1-2-4-13(12)20-16/h1-8,21H,9H2,(H,18,22)(H,19,20)
InChIKeyCHPAUYJLXSUENV-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.94
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide (PubChem CID 171676060) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide
PubChem CID171676060
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc2ccc(O)cc2o1
InChIInChI=1S/C17H13N3O3/c21-11-6-5-10-7-15(23-14(10)8-11)17(22)18-9-16-19-12-3-1-2-4-13(12)20-16/h1-8,21H,9H2,(H,18,22)(H,19,20)
InChIKeyCHPAUYJLXSUENV-UHFFFAOYSA-N
XLogP2.94
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide (CID 171676060) is N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1cc2ccc(O)cc2o1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide?
The InChIKey is CHPAUYJLXSUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-11-6-5-10-7-15(23-14(10)8-11)17(22)18-9-16-19-12-3-1-2-4-13(12)20-16/h1-8,21H,9H2,(H,18,22)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 171676060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).