N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide

C20H17N3O3 — CID 92671810

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccccc3-n3ccnc3)oc12
InChIInChI=1S/C20H17N3O3/c1-25-17-8-4-6-14-11-18(26-19(14)17)20(24)22-12-15-5-2-3-7-16(15)23-10-9-21-13-23/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyVFFOLQDHWFPHDR-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.56
Rot. Bonds5

About N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 92671810) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID92671810
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccccc3-n3ccnc3)oc12
InChIInChI=1S/C20H17N3O3/c1-25-17-8-4-6-14-11-18(26-19(14)17)20(24)22-12-15-5-2-3-7-16(15)23-10-9-21-13-23/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyVFFOLQDHWFPHDR-UHFFFAOYSA-N
XLogP3.56
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 92671810) is N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCc3ccccc3-n3ccnc3)oc12.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is VFFOLQDHWFPHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-17-8-4-6-14-11-18(26-19(14)17)20(24)22-12-15-5-2-3-7-16(15)23-10-9-21-13-23/h2-11,13H,12H2,1H3,(H,22,24).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 92671810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).