N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide

C19H19N3O2 — CID 18775158

IUPACN-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H19N3O2/c1-21(13-16-5-3-2-4-6-16)19(23)14-24-18-9-7-17(8-10-18)22-12-11-20-15-22/h2-12,15H,13-14H2,1H3
InChIKeyUDFGSVRTBPTHLH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.91
Rot. Bonds6

About N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide

N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide (PubChem CID 18775158) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide
PubChem CID18775158
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H19N3O2/c1-21(13-16-5-3-2-4-6-16)19(23)14-24-18-9-7-17(8-10-18)22-12-11-20-15-22/h2-12,15H,13-14H2,1H3
InChIKeyUDFGSVRTBPTHLH-UHFFFAOYSA-N
XLogP2.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide (CID 18775158) is N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide is CN(Cc1ccccc1)C(=O)COc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide?
The InChIKey is UDFGSVRTBPTHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(13-16-5-3-2-4-6-16)19(23)14-24-18-9-7-17(8-10-18)22-12-11-20-15-22/h2-12,15H,13-14H2,1H3.
What are the key properties of N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide?
N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide has a molecular weight of 321.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-imidazol-1-ylphenoxy)-N-methylacetamide is sourced from PubChem (CID 18775158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).