methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate

C27H26N2O3 — CID 177481762

IUPACmethyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C=NC(Cc2ccccc2)(Cc2ccccc2)C1=O
InChIInChI=1S/C27H26N2O3/c1-32-25(30)24(17-21-11-5-2-6-12-21)29-20-28-27(26(29)31,18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20,24H,17-19H2,1H3
InChIKeySGXOPTJGUOLXBE-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.87
Rot. Bonds8

About methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate

methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate (PubChem CID 177481762) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate
PubChem CID177481762
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Namemethyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C=NC(Cc2ccccc2)(Cc2ccccc2)C1=O
InChIInChI=1S/C27H26N2O3/c1-32-25(30)24(17-21-11-5-2-6-12-21)29-20-28-27(26(29)31,18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20,24H,17-19H2,1H3
InChIKeySGXOPTJGUOLXBE-UHFFFAOYSA-N
XLogP3.87
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4,4-dibenzyl-5-oxoimidazole-1-carboxylate
CID 177406805
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
methyl (2R)-2-(2,5-dihydropyrrol-1-yl)-3-phenylpropanoate
CID 135574815
methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate
CID 20522477
methyl (2S)-2-[13-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-phenylpropanoate;bis(propan-2-one)
CID 139090030
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate
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methyl 2-benzyl-3-oxobutanoate
CID 10679785
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-[(3R,4R)-3-acetyl-2-oxo-4-prop-1-en-2-ylazetidin-1-yl]-3-phenylpropanoate
CID 15358912
methyl (2S)-2-[(3aR,4S,6S,6aS)-4,6-diethynyl-2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-3-phenylpropanoate
CID 177385052

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate?
The IUPAC name of methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate (CID 177481762) is methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate.
What is the SMILES notation for methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate?
The canonical SMILES for methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)N1C=NC(Cc2ccccc2)(Cc2ccccc2)C1=O.
What is the InChIKey of methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate?
The InChIKey is SGXOPTJGUOLXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-32-25(30)24(17-21-11-5-2-6-12-21)29-20-28-27(26(29)31,18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20,24H,17-19H2,1H3.
What are the key properties of methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate?
methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate has a molecular weight of 426.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-dibenzyl-5-oxoimidazol-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 177481762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).