3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one

C15H18FN3O2 — CID 91843706

IUPAC3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3O2/c16-13-3-1-12(2-4-13)14-11-18(9-10-21-14)7-8-19-6-5-17-15(19)20/h1-6,14H,7-11H2,(H,17,20)
InChIKeyMRZDTURBDUNGHF-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.39
Rot. Bonds4

About 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one

3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one (PubChem CID 91843706) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one
PubChem CID91843706
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3O2/c16-13-3-1-12(2-4-13)14-11-18(9-10-21-14)7-8-19-6-5-17-15(19)20/h1-6,14H,7-11H2,(H,17,20)
InChIKeyMRZDTURBDUNGHF-UHFFFAOYSA-N
XLogP1.39
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione
CID 36737030
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N-(2-fluorophenyl)-3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 30891589
3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
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CID 16892839
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
1-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 111104469
ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
CID 56875309
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
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3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55565593
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
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(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
CID 95048529

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one (CID 91843706) is 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is MRZDTURBDUNGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-13-3-1-12(2-4-13)14-11-18(9-10-21-14)7-8-19-6-5-17-15(19)20/h1-6,14H,7-11H2,(H,17,20).
What are the key properties of 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one?
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 291.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 91843706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).