4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one

C28H27N3O4 — CID 22289870

IUPAC4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one
SMILESCOc1ccc(CN2CCOC(Cc3cn(-c4cccc(Oc5ccccc5)c4)cn3)C2=O)cc1
InChIInChI=1S/C28H27N3O4/c1-33-24-12-10-21(11-13-24)18-30-14-15-34-27(28(30)32)16-22-19-31(20-29-22)23-6-5-9-26(17-23)35-25-7-3-2-4-8-25/h2-13,17,19-20,27H,14-16,18H2,1H3
InChIKeyLPCCMTBONRKJBL-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.64
Rot. Bonds8

About 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one

4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one (PubChem CID 22289870) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one
PubChem CID22289870
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one
SMILESCOc1ccc(CN2CCOC(Cc3cn(-c4cccc(Oc5ccccc5)c4)cn3)C2=O)cc1
InChIInChI=1S/C28H27N3O4/c1-33-24-12-10-21(11-13-24)18-30-14-15-34-27(28(30)32)16-22-19-31(20-29-22)23-6-5-9-26(17-23)35-25-7-3-2-4-8-25/h2-13,17,19-20,27H,14-16,18H2,1H3
InChIKeyLPCCMTBONRKJBL-UHFFFAOYSA-N
XLogP4.64
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one with MolForge

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Related Compounds

(2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 59106720
2-[(2,4-dichloro-6-iodophenyl)methyl]-4-[(4-methoxyphenyl)methyl]morpholin-3-one
CID 170961087
4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
CID 142864915
tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate
CID 118496428
(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11689154
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45255021
7-chloro-5-[(dimethylamino)methyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one
CID 70328853
1-benzyl-3-(3-methoxyphenyl)azepan-2-one
CID 20565337
2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one
CID 117008495
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
S-[2-oxo-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] ethanethioate
CID 22292937

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one (CID 22289870) is 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one is COc1ccc(CN2CCOC(Cc3cn(-c4cccc(Oc5ccccc5)c4)cn3)C2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one?
The InChIKey is LPCCMTBONRKJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-33-24-12-10-21(11-13-24)18-30-14-15-34-27(28(30)32)16-22-19-31(20-29-22)23-6-5-9-26(17-23)35-25-7-3-2-4-8-25/h2-13,17,19-20,27H,14-16,18H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one?
4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one has a molecular weight of 469.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one is sourced from PubChem (CID 22289870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).