[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol

C18H24FN3O2 — CID 132776956

IUPAC[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol
SMILESCCn1cncc1CN1CCOC(CO)(Cc2cccc(F)c2)C1
InChIInChI=1S/C18H24FN3O2/c1-2-22-14-20-10-17(22)11-21-6-7-24-18(12-21,13-23)9-15-4-3-5-16(19)8-15/h3-5,8,10,14,23H,2,6-7,9,11-13H2,1H3
InChIKeyDOHOCFBFVVZIPR-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.85
Rot. Bonds6

About [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol

[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol (PubChem CID 132776956) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol
PubChem CID132776956
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol
SMILESCCn1cncc1CN1CCOC(CO)(Cc2cccc(F)c2)C1
InChIInChI=1S/C18H24FN3O2/c1-2-22-14-20-10-17(22)11-21-6-7-24-18(12-21,13-23)9-15-4-3-5-16(19)8-15/h3-5,8,10,14,23H,2,6-7,9,11-13H2,1H3
InChIKeyDOHOCFBFVVZIPR-UHFFFAOYSA-N
XLogP1.85
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 155992748
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
CID 132764631
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132776943
[2-[(2-fluorophenyl)methyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 132764204
ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole
CID 91389513
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 66134971
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
4-[(1-ethylpyrazol-4-yl)methyl]-6-[(3-fluorophenoxy)methyl]-1,4-oxazepan-6-ol
CID 132777419
[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711284
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone
CID 66154910
ethane;methyl 2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]acetate
CID 90980273

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol (CID 132776956) is [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol is CCn1cncc1CN1CCOC(CO)(Cc2cccc(F)c2)C1.
What is the InChIKey of [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol?
The InChIKey is DOHOCFBFVVZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-2-22-14-20-10-17(22)11-21-6-7-24-18(12-21,13-23)9-15-4-3-5-16(19)8-15/h3-5,8,10,14,23H,2,6-7,9,11-13H2,1H3.
What are the key properties of [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol?
[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol has a molecular weight of 333.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 132776956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).