2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide

C26H25N3O2 — CID 56578005

IUPAC2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCc1nccn1Cc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C26H25N3O2/c1-20-27-15-16-29(20)18-22-11-13-24(14-12-22)28-26(30)19-31-25-10-6-5-9-23(25)17-21-7-3-2-4-8-21/h2-16H,17-19H2,1H3,(H,28,30)
InChIKeyJFYCFRYRGJEARV-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.85
Rot. Bonds8

About 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide

2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide (PubChem CID 56578005) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
PubChem CID56578005
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCc1nccn1Cc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C26H25N3O2/c1-20-27-15-16-29(20)18-22-11-13-24(14-12-22)28-26(30)19-31-25-10-6-5-9-23(25)17-21-7-3-2-4-8-21/h2-16H,17-19H2,1H3,(H,28,30)
InChIKeyJFYCFRYRGJEARV-UHFFFAOYSA-N
XLogP4.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide (CID 56578005) is 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide is Cc1nccn1Cc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is JFYCFRYRGJEARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-20-27-15-16-29(20)18-22-11-13-24(14-12-22)28-26(30)19-31-25-10-6-5-9-23(25)17-21-7-3-2-4-8-21/h2-16H,17-19H2,1H3,(H,28,30).
What are the key properties of 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 56578005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).