ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate

C22H23N3O5 — CID 134932352

IUPACethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate
SMILESCCOC(=O)Nn1c(C(=O)c2ccccc2)c(CC)n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C22H23N3O5/c1-4-18-19(20(26)15-9-7-6-8-10-15)25(23-21(27)30-5-2)22(28)24(18)16-11-13-17(29-3)14-12-16/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKeyMPSLGRAOQKUCBL-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.14
Rot. Bonds7

About ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate

ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate (PubChem CID 134932352) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate
PubChem CID134932352
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Nameethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate
SMILESCCOC(=O)Nn1c(C(=O)c2ccccc2)c(CC)n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C22H23N3O5/c1-4-18-19(20(26)15-9-7-6-8-10-15)25(23-21(27)30-5-2)22(28)24(18)16-11-13-17(29-3)14-12-16/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKeyMPSLGRAOQKUCBL-UHFFFAOYSA-N
XLogP3.14
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-benzoyl-1-(4-methoxyphenyl)-5-phenylpyrrole-3-carboxylate
CID 139181936
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
CID 15466903
ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
diethyl 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanedioate
CID 3783114
ethyl N-[2-benzoyl-3-hydroxy-1-(4-methoxyphenyl)-3-phenylprop-2-enyl]carbamate
CID 4224876
ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 71576576
ethyl 4-[3-acetyloxy-2-hydroxy-4-(4-methoxybenzoyl)-5-phenylpyrrol-1-yl]benzoate
CID 90699805
ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596232

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate?
The IUPAC name of ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate (CID 134932352) is ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate.
What is the SMILES notation for ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate?
The canonical SMILES for ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate is CCOC(=O)Nn1c(C(=O)c2ccccc2)c(CC)n(-c2ccc(OC)cc2)c1=O.
What is the InChIKey of ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate?
The InChIKey is MPSLGRAOQKUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-4-18-19(20(26)15-9-7-6-8-10-15)25(23-21(27)30-5-2)22(28)24(18)16-11-13-17(29-3)14-12-16/h6-14H,4-5H2,1-3H3,(H,23,27).
What are the key properties of ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate?
ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate has a molecular weight of 409.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-benzoyl-4-ethyl-3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]carbamate is sourced from PubChem (CID 134932352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).