1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one

C17H19N3O4 — CID 89122415

IUPAC1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CCNC2=O)cc1-c1cccc(N(O)O)c1
InChIInChI=1S/C17H19N3O4/c1-24-16-6-5-12(11-19-8-7-18-17(19)21)9-15(16)13-3-2-4-14(10-13)20(22)23/h2-6,9-10,22-23H,7-8,11H2,1H3,(H,18,21)
InChIKeyWYWXRYYGGSGHGE-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.47
Rot. Bonds5

About 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one

1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one (PubChem CID 89122415) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one
PubChem CID89122415
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CCNC2=O)cc1-c1cccc(N(O)O)c1
InChIInChI=1S/C17H19N3O4/c1-24-16-6-5-12(11-19-8-7-18-17(19)21)9-15(16)13-3-2-4-14(10-13)20(22)23/h2-6,9-10,22-23H,7-8,11H2,1H3,(H,18,21)
InChIKeyWYWXRYYGGSGHGE-UHFFFAOYSA-N
XLogP2.47
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 17398177
CID 17398177
CID 45924452
CID 45924452
CID 45924859
CID 45924859
CID 45924896
CID 45924896
CID 45925005
CID 45925005
CID 50747131
CID 50747131
CID 50747142
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CID 50747194
CID 50747194

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one (CID 89122415) is 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one is COc1ccc(CN2CCNC2=O)cc1-c1cccc(N(O)O)c1.
What is the InChIKey of 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one?
The InChIKey is WYWXRYYGGSGHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-24-16-6-5-12(11-19-8-7-18-17(19)21)9-15(16)13-3-2-4-14(10-13)20(22)23/h2-6,9-10,22-23H,7-8,11H2,1H3,(H,18,21).
What are the key properties of 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one?
1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one has a molecular weight of 329.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 89122415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).