1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone

C17H21N3O3 — CID 132649139

IUPAC1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
SMILESO=C(Cc1cnc[nH]1)N1CCOC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C17H21N3O3/c21-12-17(9-14-4-2-1-3-5-14)11-20(6-7-23-17)16(22)8-15-10-18-13-19-15/h1-5,10,13,21H,6-9,11-12H2,(H,18,19)
InChIKeyCMEWETOQTYHPQY-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.78
Rot. Bonds5

About 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone

1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone (PubChem CID 132649139) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
PubChem CID132649139
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
SMILESO=C(Cc1cnc[nH]1)N1CCOC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C17H21N3O3/c21-12-17(9-14-4-2-1-3-5-14)11-20(6-7-23-17)16(22)8-15-10-18-13-19-15/h1-5,10,13,21H,6-9,11-12H2,(H,18,19)
InChIKeyCMEWETOQTYHPQY-UHFFFAOYSA-N
XLogP0.78
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone?
The IUPAC name of 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone (CID 132649139) is 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone.
What is the SMILES notation for 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone?
The canonical SMILES for 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone is O=C(Cc1cnc[nH]1)N1CCOC(CO)(Cc2ccccc2)C1.
What is the InChIKey of 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone?
The InChIKey is CMEWETOQTYHPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-12-17(9-14-4-2-1-3-5-14)11-20(6-7-23-17)16(22)8-15-10-18-13-19-15/h1-5,10,13,21H,6-9,11-12H2,(H,18,19).
What are the key properties of 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone?
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone has a molecular weight of 315.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone is sourced from PubChem (CID 132649139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).