5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione

C17H17N3O3 — CID 143510660

IUPAC5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione
SMILESCCC1(C2=CC=C(Oc3ccncc3)CC=C2)NC(=O)NC1=O
InChIInChI=1S/C17H17N3O3/c1-2-17(15(21)19-16(22)20-17)12-4-3-5-13(7-6-12)23-14-8-10-18-11-9-14/h3-4,6-11H,2,5H2,1H3,(H2,19,20,21,22)
InChIKeyCYUSQAYLPFOQIQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.22
Rot. Bonds4

About 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione

5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione (PubChem CID 143510660) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione
PubChem CID143510660
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione
SMILESCCC1(C2=CC=C(Oc3ccncc3)CC=C2)NC(=O)NC1=O
InChIInChI=1S/C17H17N3O3/c1-2-17(15(21)19-16(22)20-17)12-4-3-5-13(7-6-12)23-14-8-10-18-11-9-14/h3-4,6-11H,2,5H2,1H3,(H2,19,20,21,22)
InChIKeyCYUSQAYLPFOQIQ-UHFFFAOYSA-N
XLogP2.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione with MolForge

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Related Compounds

5,5-Dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione
CID 86783021
(5S)-5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
CID 97801644
3-[[2-(Cyclopropylmethoxy)-4-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 99781612
N-tert-butyl-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 57670453
N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine
CID 142867309
ethane;N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine
CID 142867333
3,3-dimethyl-2-oxo-N-[(Z)-1-(3-pyridin-4-yloxybut-3-en-2-ylideneamino)prop-1-enyl]pyrrolidine-1-carboxamide
CID 174197871
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide
CID 18167356
5-Methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
CID 75517291
5,5-Diethyl-1-[(2-methoxy-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 80353038
(5R)-5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
CID 97801643
N-tert-butyl-2-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]acetamide
CID 99631729

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione (CID 143510660) is 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione is CCC1(C2=CC=C(Oc3ccncc3)CC=C2)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione?
The InChIKey is CYUSQAYLPFOQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-17(15(21)19-16(22)20-17)12-4-3-5-13(7-6-12)23-14-8-10-18-11-9-14/h3-4,6-11H,2,5H2,1H3,(H2,19,20,21,22).
What are the key properties of 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione?
5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-pyridin-4-yloxycyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 143510660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).