3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine

C14H16FN3O — CID 116881165

IUPAC3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine
SMILESFc1cccc(-c2cnc(CC3COCCN3)[nH]2)c1
InChIInChI=1S/C14H16FN3O/c15-11-3-1-2-10(6-11)13-8-17-14(18-13)7-12-9-19-5-4-16-12/h1-3,6,8,12,16H,4-5,7,9H2,(H,17,18)
InChIKeyRTFRALXQUBXPPJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.75
Rot. Bonds3

About 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine

3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine (PubChem CID 116881165) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine
PubChem CID116881165
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine
SMILESFc1cccc(-c2cnc(CC3COCCN3)[nH]2)c1
InChIInChI=1S/C14H16FN3O/c15-11-3-1-2-10(6-11)13-8-17-14(18-13)7-12-9-19-5-4-16-12/h1-3,6,8,12,16H,4-5,7,9H2,(H,17,18)
InChIKeyRTFRALXQUBXPPJ-UHFFFAOYSA-N
XLogP1.75
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine?
The IUPAC name of 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine (CID 116881165) is 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine?
The canonical SMILES for 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine is Fc1cccc(-c2cnc(CC3COCCN3)[nH]2)c1.
What is the InChIKey of 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine?
The InChIKey is RTFRALXQUBXPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-3-1-2-10(6-11)13-8-17-14(18-13)7-12-9-19-5-4-16-12/h1-3,6,8,12,16H,4-5,7,9H2,(H,17,18).
What are the key properties of 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine?
3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine has a molecular weight of 261.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 116881165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).