2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide

C18H16IN3O2 — CID 89365128

IUPAC2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide
SMILESO=C(COc1ccc(-n2ccnc2)cc1)Nc1ccccc1CI
InChIInChI=1S/C18H16IN3O2/c19-11-14-3-1-2-4-17(14)21-18(23)12-24-16-7-5-15(6-8-16)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyPLQVSNHAWBICGX-UHFFFAOYSA-N
MW433.25 g/mol
LogP3.82
Rot. Bonds6

About 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide

2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide (PubChem CID 89365128) has the molecular formula C18H16IN3O2 and a molecular weight of 433.25 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide
PubChem CID89365128
Molecular FormulaC18H16IN3O2
Molecular Weight433.25 g/mol
Exact Mass433.03
IUPAC Name2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide
SMILESO=C(COc1ccc(-n2ccnc2)cc1)Nc1ccccc1CI
InChIInChI=1S/C18H16IN3O2/c19-11-14-3-1-2-4-17(14)21-18(23)12-24-16-7-5-15(6-8-16)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyPLQVSNHAWBICGX-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 11545014
N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 86304256
N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
2-(4-imidazol-1-ylphenoxy)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 86304415
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
[2-(2-methylanilino)-2-oxoethyl] 4-imidazol-1-ylbenzoate
CID 75434284
ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide
CID 144739371
2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908267
2-(2-imidazol-1-ylphenoxy)-N-(2-methylphenyl)acetamide
CID 166221787
N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 37239311
N-(4-imidazol-1-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 31409632
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide?
The IUPAC name of 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide (CID 89365128) is 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide is O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccccc1CI.
What is the InChIKey of 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide?
The InChIKey is PLQVSNHAWBICGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O2/c19-11-14-3-1-2-4-17(14)21-18(23)12-24-16-7-5-15(6-8-16)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23).
What are the key properties of 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide?
2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide has a molecular weight of 433.25 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide is sourced from PubChem (CID 89365128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).