4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one

C13H17N3O3 — CID 138389637

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H17N3O3/c1-13(11(14)15-12(17)16-13)7-8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H3,14,15,16,17)
InChIKeyVXAFAXRIOFEZOS-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.30
Rot. Bonds4

About 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one

4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one (PubChem CID 138389637) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one
PubChem CID138389637
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H17N3O3/c1-13(11(14)15-12(17)16-13)7-8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H3,14,15,16,17)
InChIKeyVXAFAXRIOFEZOS-UHFFFAOYSA-N
XLogP1.30
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2063611
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 97054788
2-[(3,4-dimethoxyphenyl)methyl]-2-[[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methyl]-5,6-dimethoxyindene-1,3-dione
CID 11679092
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one
CID 66106580
2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8001798
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607
4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 114487056
5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-5-[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione
CID 11189584
N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide
CID 135313535
5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione
CID 70454826
N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079805

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one (CID 138389637) is 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one is [H]/N=C1\NC(=O)NC1(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one?
The InChIKey is VXAFAXRIOFEZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(11(14)15-12(17)16-13)7-8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one?
4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one has a molecular weight of 263.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one is sourced from PubChem (CID 138389637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).