N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide

C20H17N3O2 — CID 46913220

IUPACN-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1cc2ccccc2o1
InChIInChI=1S/C20H17N3O2/c24-20(19-12-16-8-4-5-9-18(16)25-19)22-13-17(23-11-10-21-14-23)15-6-2-1-3-7-15/h1-12,14,17H,13H2,(H,22,24)
InChIKeyIIVYMYBROOALQO-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.65
Rot. Bonds5

About N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide

N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 46913220) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID46913220
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1cc2ccccc2o1
InChIInChI=1S/C20H17N3O2/c24-20(19-12-16-8-4-5-9-18(16)25-19)22-13-17(23-11-10-21-14-23)15-6-2-1-3-7-15/h1-12,14,17H,13H2,(H,22,24)
InChIKeyIIVYMYBROOALQO-UHFFFAOYSA-N
XLogP3.65
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide (CID 46913220) is N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide is O=C(NCC(c1ccccc1)n1ccnc1)c1cc2ccccc2o1.
What is the InChIKey of N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IIVYMYBROOALQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(19-12-16-8-4-5-9-18(16)25-19)22-13-17(23-11-10-21-14-23)15-6-2-1-3-7-15/h1-12,14,17H,13H2,(H,22,24).
What are the key properties of N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide?
N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-2-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46913220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).