1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one

C13H19N3O2 — CID 107230430

IUPAC1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1cccc(CO)c1
InChIInChI=1S/C13H19N3O2/c17-10-12-3-1-2-11(8-12)9-14-4-6-16-7-5-15-13(16)18/h1-3,8,14,17H,4-7,9-10H2,(H,15,18)
InChIKeyOEZCGJBUOKGYBD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.29
Rot. Bonds6

About 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one

1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one (PubChem CID 107230430) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
PubChem CID107230430
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1cccc(CO)c1
InChIInChI=1S/C13H19N3O2/c17-10-12-3-1-2-11(8-12)9-14-4-6-16-7-5-15-13(16)18/h1-3,8,14,17H,4-7,9-10H2,(H,15,18)
InChIKeyOEZCGJBUOKGYBD-UHFFFAOYSA-N
XLogP0.29
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28970678
1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28738658
1-[2-[3-(hydroxymethyl)phenyl]sulfanylethyl]imidazolidin-2-one
CID 66348731
1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
CID 28580726
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
CID 28579397
1-[2-(2-pyridin-4-ylethylamino)ethyl]imidazolidin-2-one
CID 60904196
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one
CID 65313305
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea
CID 72931818
1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one
CID 61166922
3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 28581002
[3-[(4-phenylbutylamino)methyl]phenyl]methanol
CID 107230381

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one (CID 107230430) is 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1cccc(CO)c1.
What is the InChIKey of 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one?
The InChIKey is OEZCGJBUOKGYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-10-12-3-1-2-11(8-12)9-14-4-6-16-7-5-15-13(16)18/h1-3,8,14,17H,4-7,9-10H2,(H,15,18).
What are the key properties of 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one?
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 107230430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).