N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide

C19H19N3O2 — CID 58294111

IUPACN-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(COc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-14(23)21-10-15-6-8-16(9-7-15)12-24-19-5-3-2-4-17(19)18-11-20-13-22-18/h2-9,11,13H,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyUHHRDHGCDXKPBX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.29
Rot. Bonds6

About N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide

N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide (PubChem CID 58294111) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide
PubChem CID58294111
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(COc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-14(23)21-10-15-6-8-16(9-7-15)12-24-19-5-3-2-4-17(19)18-11-20-13-22-18/h2-9,11,13H,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyUHHRDHGCDXKPBX-UHFFFAOYSA-N
XLogP3.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
CID 67207597
S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
CID 143884941
2-[3-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 58294229
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
CID 143884976
5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole
CID 52935729
4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
CID 70925852
5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
CID 147036147
4-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 52934164
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
CID 58294140
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide (CID 58294111) is N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(COc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide?
The InChIKey is UHHRDHGCDXKPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(23)21-10-15-6-8-16(9-7-15)12-24-19-5-3-2-4-17(19)18-11-20-13-22-18/h2-9,11,13H,10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide?
N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 58294111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).