2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone

C16H18FN3O2 — CID 46960541

IUPAC2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC(Cn2ccnc2)C1
InChIInChI=1S/C16H18FN3O2/c17-14-3-1-13(2-4-14)9-16(21)20-7-8-22-15(11-20)10-19-6-5-18-12-19/h1-6,12,15H,7-11H2
InChIKeyRSOBDIYLGVNOOR-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.49
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone

2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone (PubChem CID 46960541) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone
PubChem CID46960541
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC(Cn2ccnc2)C1
InChIInChI=1S/C16H18FN3O2/c17-14-3-1-13(2-4-14)9-16(21)20-7-8-22-15(11-20)10-19-6-5-18-12-19/h1-6,12,15H,7-11H2
InChIKeyRSOBDIYLGVNOOR-UHFFFAOYSA-N
XLogP1.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54587781
3-(4-fluorobenzyl)-4-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-2(1H)-pyridinone
CID 54682159
N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 3425918
4-Fluoro-N-[3-(1H-imidazol-1-yl)propyl]benzeneacetamide
CID 13588955
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
CID 4876358
1-[4-Hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 16667945
1-[4-Hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 16671828
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24816656
1-[4-(1-Methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 25848959
2-(4-Fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 42111021
1-[4-(1-Methylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone
CID 49670238
(4-((1H-imidazol-1-yl)methyl)piperidin-1-yl)(2-fluorophenyl)methanone
CID 52992546

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone (CID 46960541) is 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCOC(Cn2ccnc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone?
The InChIKey is RSOBDIYLGVNOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-14-3-1-13(2-4-14)9-16(21)20-7-8-22-15(11-20)10-19-6-5-18-12-19/h1-6,12,15H,7-11H2.
What are the key properties of 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone?
2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone has a molecular weight of 303.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-(imidazol-1-ylmethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 46960541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).