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

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Related Compounds

CID 145969480
CID 145969480
CID 49778230
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CID 73387779
CID 73387779
CID 46943138
CID 46943138
CID 124053044
CID 124053044
CID 124053113
CID 124053113
CID 124078756
CID 124078756
CID 145970566
CID 145970566
CID 25285023
CID 25285023
CID 124077679
CID 124077679
CID 18775158
CID 18775158
CID 25338966
CID 25338966

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).