2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde

C19H19N3O5 — CID 143510183

IUPAC2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde
SMILESCOc1ccc(CNC[C@@]2(c3ccc(O)cc3)NC(=O)NC2=O)c(C=O)c1
InChIInChI=1S/C19H19N3O5/c1-27-16-7-2-12(13(8-16)10-23)9-20-11-19(17(25)21-18(26)22-19)14-3-5-15(24)6-4-14/h2-8,10,20,24H,9,11H2,1H3,(H2,21,22,25,26)/t19-/m0/s1
InChIKeyOQADRPQIEXIFKL-IBGZPJMESA-N
MW369.38 g/mol
LogP1.04
Rot. Bonds7

About 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde

2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde (PubChem CID 143510183) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde
PubChem CID143510183
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde
SMILESCOc1ccc(CNC[C@@]2(c3ccc(O)cc3)NC(=O)NC2=O)c(C=O)c1
InChIInChI=1S/C19H19N3O5/c1-27-16-7-2-12(13(8-16)10-23)9-20-11-19(17(25)21-18(26)22-19)14-3-5-15(24)6-4-14/h2-8,10,20,24H,9,11H2,1H3,(H2,21,22,25,26)/t19-/m0/s1
InChIKeyOQADRPQIEXIFKL-IBGZPJMESA-N
XLogP1.04
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde?
The IUPAC name of 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde (CID 143510183) is 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde.
What is the SMILES notation for 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde?
The canonical SMILES for 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde is COc1ccc(CNC[C@@]2(c3ccc(O)cc3)NC(=O)NC2=O)c(C=O)c1.
What is the InChIKey of 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde?
The InChIKey is OQADRPQIEXIFKL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N3O5/c1-27-16-7-2-12(13(8-16)10-23)9-20-11-19(17(25)21-18(26)22-19)14-3-5-15(24)6-4-14/h2-8,10,20,24H,9,11H2,1H3,(H2,21,22,25,26)/t19-/m0/s1.
What are the key properties of 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde?
2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde has a molecular weight of 369.38 g/mol, XLogP of 1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde is sourced from PubChem (CID 143510183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).