1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one

C18H19N3O2 — CID 118220636

IUPAC1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one
SMILESC=C(O)c1cncc(Cc2ccc(CN3CCNC3=O)cc2)c1
InChIInChI=1S/C18H19N3O2/c1-13(22)17-9-16(10-19-11-17)8-14-2-4-15(5-3-14)12-21-7-6-20-18(21)23/h2-5,9-11,22H,1,6-8,12H2,(H,20,23)
InChIKeyVJJRXNIDAUEYEY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.73
Rot. Bonds5

About 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one

1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one (PubChem CID 118220636) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one
PubChem CID118220636
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one
SMILESC=C(O)c1cncc(Cc2ccc(CN3CCNC3=O)cc2)c1
InChIInChI=1S/C18H19N3O2/c1-13(22)17-9-16(10-19-11-17)8-14-2-4-15(5-3-14)12-21-7-6-20-18(21)23/h2-5,9-11,22H,1,6-8,12H2,(H,20,23)
InChIKeyVJJRXNIDAUEYEY-UHFFFAOYSA-N
XLogP2.73
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-[5-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-3-pyridinyl]acetaldehyde
CID 123880619
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one
CID 134601119
2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324861
ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 144881175
1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one
CID 123261563
1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one
CID 114702369
1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one
CID 115371155
4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one
CID 110090645
1-ethylimidazolidin-2-one;2-methylprop-2-enamide
CID 66716042
2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
CID 83822306
tert-butyl N-[[4-[[1-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]ethenylamino]methyl]phenyl]methyl]carbamate
CID 118220509

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one (CID 118220636) is 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one is C=C(O)c1cncc(Cc2ccc(CN3CCNC3=O)cc2)c1.
What is the InChIKey of 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one?
The InChIKey is VJJRXNIDAUEYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(22)17-9-16(10-19-11-17)8-14-2-4-15(5-3-14)12-21-7-6-20-18(21)23/h2-5,9-11,22H,1,6-8,12H2,(H,20,23).
What are the key properties of 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one?
1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 118220636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).