1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one

C14H19N3O4 — CID 138388253

IUPAC1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H19N3O4/c1-5-17-12(13(15)16-14(17)18)11-9(20-3)6-8(19-2)7-10(11)21-4/h6-7,12H,5H2,1-4H3,(H2,15,16,18)
InChIKeyXYZROIZWOHULNA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.78
Rot. Bonds5

About 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one

1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one (PubChem CID 138388253) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one
PubChem CID138388253
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H19N3O4/c1-5-17-12(13(15)16-14(17)18)11-9(20-3)6-8(19-2)7-10(11)21-4/h6-7,12H,5H2,1-4H3,(H2,15,16,18)
InChIKeyXYZROIZWOHULNA-UHFFFAOYSA-N
XLogP1.78
TPSA83.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Octadecyl-3-(2,4,6-trimethoxy-benzyl)-urea
CID 10097198
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47066673
2-[2-(2,4-Dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51224148
N-cyclopentyl-N-(2,4-dimethoxybenzyl)-N'-(1-ethylpropyl)urea
CID 121505628
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-ethylpyrrolidin-3-yl]urea
CID 125522087
3-[(2,4-dimethoxyphenyl)methyl]-1-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]urea
CID 126453734
1-[1-[[2-(Difluoromethoxy)-4-methoxyphenyl]methyl]azetidin-3-yl]imidazolidin-2-one
CID 137996386
N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoro-5-azaspiro[2.4]heptane-5-carboxamide
CID 138011722
N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide
CID 138011726
(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde
CID 164666012
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8857110
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8857111

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one (CID 138388253) is 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one?
The InChIKey is XYZROIZWOHULNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-5-17-12(13(15)16-14(17)18)11-9(20-3)6-8(19-2)7-10(11)21-4/h6-7,12H,5H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one?
1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 138388253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).