methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate

C21H24N2O6 — CID 67120545

IUPACmethyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate
SMILESCOC(=O)c1ccc(C2NCC(C(=O)c3cc(OC)c(OC)c(OC)c3)N2)cc1
InChIInChI=1S/C21H24N2O6/c1-26-16-9-14(10-17(27-2)19(16)28-3)18(24)15-11-22-20(23-15)12-5-7-13(8-6-12)21(25)29-4/h5-10,15,20,22-23H,11H2,1-4H3
InChIKeyLIFXMCDDOCUONC-UHFFFAOYSA-N
MW400.43 g/mol
LogP1.94
Rot. Bonds7

About methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate

methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate (PubChem CID 67120545) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate
PubChem CID67120545
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Namemethyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate
SMILESCOC(=O)c1ccc(C2NCC(C(=O)c3cc(OC)c(OC)c(OC)c3)N2)cc1
InChIInChI=1S/C21H24N2O6/c1-26-16-9-14(10-17(27-2)19(16)28-3)18(24)15-11-22-20(23-15)12-5-7-13(8-6-12)21(25)29-4/h5-10,15,20,22-23H,11H2,1-4H3
InChIKeyLIFXMCDDOCUONC-UHFFFAOYSA-N
XLogP1.94
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate with MolForge

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Related Compounds

[2-(1H-indol-5-yl)imidazolidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69037845
(NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 87276471
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
CID 87276405
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
CID 19861876
(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 67120512
methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
CID 142749790
(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 67120468
methyl 3,4-dimethoxy-5-pyrrolidin-3-ylbenzoate
CID 117417261
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
methyl 4-(2-methylcyclopentyl)benzoate
CID 138974575
methyl 4-(8-azabicyclo[3.2.1]octan-3-yl)benzoate
CID 24904224

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate?
The IUPAC name of methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate (CID 67120545) is methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate?
The canonical SMILES for methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate is COC(=O)c1ccc(C2NCC(C(=O)c3cc(OC)c(OC)c(OC)c3)N2)cc1.
What is the InChIKey of methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate?
The InChIKey is LIFXMCDDOCUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-26-16-9-14(10-17(27-2)19(16)28-3)18(24)15-11-22-20(23-15)12-5-7-13(8-6-12)21(25)29-4/h5-10,15,20,22-23H,11H2,1-4H3.
What are the key properties of methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate?
methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate has a molecular weight of 400.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(3,4,5-trimethoxybenzoyl)imidazolidin-2-yl]benzoate is sourced from PubChem (CID 67120545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).