4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine

C27H26FN3O2 — CID 141091848

IUPAC4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine
SMILESFc1ccc(-c2ccc(OCc3nccn3Cc3ccccc3)c(N3CCOCC3)c2)cc1
InChIInChI=1S/C27H26FN3O2/c28-24-9-6-22(7-10-24)23-8-11-26(25(18-23)30-14-16-32-17-15-30)33-20-27-29-12-13-31(27)19-21-4-2-1-3-5-21/h1-13,18H,14-17,19-20H2
InChIKeyITGUYQCPGLKSIL-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.15
Rot. Bonds7

About 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine

4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine (PubChem CID 141091848) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine
PubChem CID141091848
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine
SMILESFc1ccc(-c2ccc(OCc3nccn3Cc3ccccc3)c(N3CCOCC3)c2)cc1
InChIInChI=1S/C27H26FN3O2/c28-24-9-6-22(7-10-24)23-8-11-26(25(18-23)30-14-16-32-17-15-30)33-20-27-29-12-13-31(27)19-21-4-2-1-3-5-21/h1-13,18H,14-17,19-20H2
InChIKeyITGUYQCPGLKSIL-UHFFFAOYSA-N
XLogP5.15
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine?
The IUPAC name of 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine (CID 141091848) is 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine.
What is the SMILES notation for 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine?
The canonical SMILES for 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine is Fc1ccc(-c2ccc(OCc3nccn3Cc3ccccc3)c(N3CCOCC3)c2)cc1.
What is the InChIKey of 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine?
The InChIKey is ITGUYQCPGLKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c28-24-9-6-22(7-10-24)23-8-11-26(25(18-23)30-14-16-32-17-15-30)33-20-27-29-12-13-31(27)19-21-4-2-1-3-5-21/h1-13,18H,14-17,19-20H2.
What are the key properties of 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine?
4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine has a molecular weight of 443.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-benzylimidazol-2-yl)methoxy]-5-(4-fluorophenyl)phenyl]morpholine is sourced from PubChem (CID 141091848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).