4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine

C16H17BrFN3O — CID 148778768

IUPAC4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine
SMILESFc1cc(N2CCOCC2)c(-n2cnc(C3CC3)c2)cc1Br
InChIInChI=1S/C16H17BrFN3O/c17-12-7-15(21-9-14(19-10-21)11-1-2-11)16(8-13(12)18)20-3-5-22-6-4-20/h7-11H,1-6H2
InChIKeyOJWQTMMMBQVVME-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.49
Rot. Bonds3

About 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine

4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine (PubChem CID 148778768) has the molecular formula C16H17BrFN3O and a molecular weight of 366.23 g/mol. Its IUPAC name is 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine.

Molecular Properties

Compound Name4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine
PubChem CID148778768
Molecular FormulaC16H17BrFN3O
Molecular Weight366.23 g/mol
Exact Mass365.05
IUPAC Name4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine
SMILESFc1cc(N2CCOCC2)c(-n2cnc(C3CC3)c2)cc1Br
InChIInChI=1S/C16H17BrFN3O/c17-12-7-15(21-9-14(19-10-21)11-1-2-11)16(8-13(12)18)20-3-5-22-6-4-20/h7-11H,1-6H2
InChIKeyOJWQTMMMBQVVME-UHFFFAOYSA-N
XLogP3.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine?
The IUPAC name of 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine (CID 148778768) is 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine.
What is the SMILES notation for 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine?
The canonical SMILES for 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine is Fc1cc(N2CCOCC2)c(-n2cnc(C3CC3)c2)cc1Br.
What is the InChIKey of 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine?
The InChIKey is OJWQTMMMBQVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O/c17-12-7-15(21-9-14(19-10-21)11-1-2-11)16(8-13(12)18)20-3-5-22-6-4-20/h7-11H,1-6H2.
What are the key properties of 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine?
4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine has a molecular weight of 366.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine is sourced from PubChem (CID 148778768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).