1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

C18H23N3O3 — CID 132764139

IUPAC1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1cccc(OCC2(O)CCN(C(=O)Cn3ccnc3C)C2)c1
InChIInChI=1S/C18H23N3O3/c1-14-4-3-5-16(10-14)24-13-18(23)6-8-21(12-18)17(22)11-20-9-7-19-15(20)2/h3-5,7,9-10,23H,6,8,11-13H2,1-2H3
InChIKeyAXSLLGZPZLMTDU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.54
Rot. Bonds5

About 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 132764139) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
PubChem CID132764139
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1cccc(OCC2(O)CCN(C(=O)Cn3ccnc3C)C2)c1
InChIInChI=1S/C18H23N3O3/c1-14-4-3-5-16(10-14)24-13-18(23)6-8-21(12-18)17(22)11-20-9-7-19-15(20)2/h3-5,7,9-10,23H,6,8,11-13H2,1-2H3
InChIKeyAXSLLGZPZLMTDU-UHFFFAOYSA-N
XLogP1.54
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
CID 132775743
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132764596
2-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764302
[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 132764056
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 124984316
1-[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 155991776
3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide
CID 132948187
1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 132764475
[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 132777609
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 132770579
N-[2-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 132948466

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (CID 132764139) is 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is Cc1cccc(OCC2(O)CCN(C(=O)Cn3ccnc3C)C2)c1.
What is the InChIKey of 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is AXSLLGZPZLMTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-4-3-5-16(10-14)24-13-18(23)6-8-21(12-18)17(22)11-20-9-7-19-15(20)2/h3-5,7,9-10,23H,6,8,11-13H2,1-2H3.
What are the key properties of 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 132764139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).