3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione

C18H16N4O4 — CID 121017262

IUPAC3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cccc(Oc2ccccn2)c1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C18H16N4O4/c23-16-9-20-18(25)22(16)13-10-21(11-13)17(24)12-4-3-5-14(8-12)26-15-6-1-2-7-19-15/h1-8,13H,9-11H2,(H,20,25)
InChIKeyIMJLHHFOUJJMCD-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.25
Rot. Bonds4

About 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione

3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121017262) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121017262
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cccc(Oc2ccccn2)c1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C18H16N4O4/c23-16-9-20-18(25)22(16)13-10-21(11-13)17(24)12-4-3-5-14(8-12)26-15-6-1-2-7-19-15/h1-8,13H,9-11H2,(H,20,25)
InChIKeyIMJLHHFOUJJMCD-UHFFFAOYSA-N
XLogP1.25
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one
CID 146137380
(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 121187049
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 90596721
3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159925
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596810
3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 91814780
[3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone
CID 131701911
[3-(2-hydroxyethyl)morpholin-4-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 136557337
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121017262) is 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione is O=C(c1cccc(Oc2ccccn2)c1)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is IMJLHHFOUJJMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-16-9-20-18(25)22(16)13-10-21(11-13)17(24)12-4-3-5-14(8-12)26-15-6-1-2-7-19-15/h1-8,13H,9-11H2,(H,20,25).
What are the key properties of 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 352.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121017262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).