N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide

C18H17N3O2 — CID 110735606

IUPACN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide
SMILESCc1ncc(-c2cccc(NC(=O)COc3ccccc3)c2)[nH]1
InChIInChI=1S/C18H17N3O2/c1-13-19-11-17(20-13)14-6-5-7-15(10-14)21-18(22)12-23-16-8-3-2-4-9-16/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyVPCZJIVDLWTZGN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.40
Rot. Bonds5

About N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide

N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide (PubChem CID 110735606) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide
PubChem CID110735606
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide
SMILESCc1ncc(-c2cccc(NC(=O)COc3ccccc3)c2)[nH]1
InChIInChI=1S/C18H17N3O2/c1-13-19-11-17(20-13)14-6-5-7-15(10-14)21-18(22)12-23-16-8-3-2-4-9-16/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyVPCZJIVDLWTZGN-UHFFFAOYSA-N
XLogP3.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808558
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(4-phenylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154728
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
2-(4-fluorophenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808772
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668566
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
2-(4-fluorophenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 17359046
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 112803411
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide (CID 110735606) is N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide is Cc1ncc(-c2cccc(NC(=O)COc3ccccc3)c2)[nH]1.
What is the InChIKey of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is VPCZJIVDLWTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-19-11-17(20-13)14-6-5-7-15(10-14)21-18(22)12-23-16-8-3-2-4-9-16/h2-11H,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide?
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 307.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 110735606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).