1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone

C18H22FN3O3 — CID 119044339

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone
SMILESCC1CN(C(=O)Cn2ccnc2C(O)c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C18H22FN3O3/c1-12-9-22(10-13(2)25-12)16(23)11-21-8-7-20-18(21)17(24)14-3-5-15(19)6-4-14/h3-8,12-13,17,24H,9-11H2,1-2H3
InChIKeyASTYVIGKXLXBRY-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.74
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone (PubChem CID 119044339) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone
PubChem CID119044339
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone
SMILESCC1CN(C(=O)Cn2ccnc2C(O)c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C18H22FN3O3/c1-12-9-22(10-13(2)25-12)16(23)11-21-8-7-20-18(21)17(24)14-3-5-15(19)6-4-14/h3-8,12-13,17,24H,9-11H2,1-2H3
InChIKeyASTYVIGKXLXBRY-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone (CID 119044339) is 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone is CC1CN(C(=O)Cn2ccnc2C(O)c2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone?
The InChIKey is ASTYVIGKXLXBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12-9-22(10-13(2)25-12)16(23)11-21-8-7-20-18(21)17(24)14-3-5-15(19)6-4-14/h3-8,12-13,17,24H,9-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone has a molecular weight of 347.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone is sourced from PubChem (CID 119044339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).