[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone

C21H20FN3O2 — CID 45220731

IUPAC[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C21H20FN3O2/c22-16-5-3-4-15(12-16)13-17-14-25(10-11-27-17)21(26)19-7-2-1-6-18(19)20-23-8-9-24-20/h1-9,12,17H,10-11,13-14H2,(H,23,24)
InChIKeyHLDQMAWJTXUQHZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.30
Rot. Bonds4

About [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone

[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 45220731) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID45220731
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C21H20FN3O2/c22-16-5-3-4-15(12-16)13-17-14-25(10-11-27-17)21(26)19-7-2-1-6-18(19)20-23-8-9-24-20/h1-9,12,17H,10-11,13-14H2,(H,23,24)
InChIKeyHLDQMAWJTXUQHZ-UHFFFAOYSA-N
XLogP3.30
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone (CID 45220731) is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone is O=C(c1ccccc1-c1ncc[nH]1)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is HLDQMAWJTXUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-16-5-3-4-15(12-16)13-17-14-25(10-11-27-17)21(26)19-7-2-1-6-18(19)20-23-8-9-24-20/h1-9,12,17H,10-11,13-14H2,(H,23,24).
What are the key properties of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 45220731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).