2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone

C29H33N3O3 — CID 2892548

IUPAC2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C29H33N3O3/c33-28(30-17-19-34-20-18-30)23-35-27-13-11-26(12-14-27)29-31(21-24-7-3-1-4-8-24)15-16-32(29)22-25-9-5-2-6-10-25/h1-14,29H,15-23H2
InChIKeyYJBPNFQIBCMKPX-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.94
Rot. Bonds8

About 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone

2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 2892548) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID2892548
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C29H33N3O3/c33-28(30-17-19-34-20-18-30)23-35-27-13-11-26(12-14-27)29-31(21-24-7-3-1-4-8-24)15-16-32(29)22-25-9-5-2-6-10-25/h1-14,29H,15-23H2
InChIKeyYJBPNFQIBCMKPX-UHFFFAOYSA-N
XLogP3.94
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 4689898
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone
CID 16673169
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
1-[4-[2-(4-iodophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452209
2-[4-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-1-morpholin-4-ylethanone
CID 163306576
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone (CID 2892548) is 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone is O=C(COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is YJBPNFQIBCMKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c33-28(30-17-19-34-20-18-30)23-35-27-13-11-26(12-14-27)29-31(21-24-7-3-1-4-8-24)15-16-32(29)22-25-9-5-2-6-10-25/h1-14,29H,15-23H2.
What are the key properties of 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 471.60 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 2892548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).