3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde

C12H12N2O4 — CID 62023908

IUPAC3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1C(=O)CNC1=O
InChIInChI=1S/C12H12N2O4/c1-18-10-3-2-8(7-15)4-9(10)6-14-11(16)5-13-12(14)17/h2-4,7H,5-6H2,1H3,(H,13,17)
InChIKeyQLEOWBHEVCVOFN-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.56
Rot. Bonds4

About 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde

3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde (PubChem CID 62023908) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde
PubChem CID62023908
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1C(=O)CNC1=O
InChIInChI=1S/C12H12N2O4/c1-18-10-3-2-8(7-15)4-9(10)6-14-11(16)5-13-12(14)17/h2-4,7H,5-6H2,1H3,(H,13,17)
InChIKeyQLEOWBHEVCVOFN-UHFFFAOYSA-N
XLogP0.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62023502
4-methoxy-3-[(2-oxoazepan-1-yl)methyl]benzaldehyde
CID 62024268
4-methoxy-3-[(4-methyl-3-oxo-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 102889608
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 708263
3-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62018791
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62330700
3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 83219096
3-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 66309771
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde (CID 62023908) is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde?
The InChIKey is QLEOWBHEVCVOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-10-3-2-8(7-15)4-9(10)6-14-11(16)5-13-12(14)17/h2-4,7H,5-6H2,1H3,(H,13,17).
What are the key properties of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde?
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde has a molecular weight of 248.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 62023908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).