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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Related Compounds

1H-Imidazole, 2-(2-benzofuranyl)-, monohydrochloride
CID 3073595
2-(1-benzofuran-2-yl)-1H-imidazole
CID 3073596
1-[(6-methoxybenzofuran-2-yl)-(4-methoxyphenyl)methyl]-1H-imidazole
CID 10404636
1-(benzofuran-2-yl(4-chlorophenyl)methyl)-1H-imidazole
CID 9972577
5-Chloro-N-{[(4s)-4-(1-Methyl-1h-Imidazol-2-Yl)-2,5-Dioxoimidazolidin-4-Yl]methyl}-1-Benzofuran-2-Carboxamide
CID 86287516
Azole, 6
CID 53348136
Benzofuran-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 2952642
N-[3-(1H-imidazol-1-yl)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 3146651
7-fluoro-N,3-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 23723707
N-[(Z)-2-Furan-2-yl-1-(3-imidazol-1-yl-propylcarbamoyl)-vinyl]-4-methoxy-benzamide
CID 12005525
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzofuran-2-carboxamide
CID 46886504
N-[3-(1H-imidazol-1-yl)propyl]naphtho[2,1-b]furan-2-carboxamide
CID 4555995

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).