N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide

C21H19N3O2 — CID 122134954

IUPACN-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NCCc1cc2ccccc2o1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C21H19N3O2/c25-21(18-6-3-4-16(12-18)14-24-11-10-22-15-24)23-9-8-19-13-17-5-1-2-7-20(17)26-19/h1-7,10-13,15H,8-9,14H2,(H,23,25)
InChIKeySKOGVFGCAKYBNW-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.65
Rot. Bonds6

About N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide

N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide (PubChem CID 122134954) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide
PubChem CID122134954
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NCCc1cc2ccccc2o1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C21H19N3O2/c25-21(18-6-3-4-16(12-18)14-24-11-10-22-15-24)23-9-8-19-13-17-5-1-2-7-20(17)26-19/h1-7,10-13,15H,8-9,14H2,(H,23,25)
InChIKeySKOGVFGCAKYBNW-UHFFFAOYSA-N
XLogP3.65
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(imidazol-1-ylmethyl)benzoate
CID 7219979
4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537554
3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49344596
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86813146
3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 154795295
N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
CID 121020585
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-(3-imidazol-1-ylpropyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38103746
3-[2-[[N'-(1-benzofuran-2-ylmethyl)-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633217
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide (CID 122134954) is N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide is O=C(NCCc1cc2ccccc2o1)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide?
The InChIKey is SKOGVFGCAKYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(18-6-3-4-16(12-18)14-24-11-10-22-15-24)23-9-8-19-13-17-5-1-2-7-20(17)26-19/h1-7,10-13,15H,8-9,14H2,(H,23,25).
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide?
N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 122134954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).