4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine

C18H24FN3O3 — CID 56750376

IUPAC4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine
SMILESCOc1cc(F)c(-c2nccn2CCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H24FN3O3/c1-23-16-12-14(15(19)13-17(16)24-2)18-20-4-7-22(18)6-3-5-21-8-10-25-11-9-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeyRQABPMMJWWKJQU-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.43
Rot. Bonds7

About 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine

4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine (PubChem CID 56750376) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine
PubChem CID56750376
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine
SMILESCOc1cc(F)c(-c2nccn2CCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H24FN3O3/c1-23-16-12-14(15(19)13-17(16)24-2)18-20-4-7-22(18)6-3-5-21-8-10-25-11-9-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeyRQABPMMJWWKJQU-UHFFFAOYSA-N
XLogP2.43
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine (CID 56750376) is 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine is COc1cc(F)c(-c2nccn2CCCN2CCOCC2)cc1OC.
What is the InChIKey of 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine?
The InChIKey is RQABPMMJWWKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-23-16-12-14(15(19)13-17(16)24-2)18-20-4-7-22(18)6-3-5-21-8-10-25-11-9-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3.
What are the key properties of 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine?
4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine has a molecular weight of 349.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 56750376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).