(5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane

C15H17F2N3O2 — CID 144743088

IUPAC(5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane
SMILESCC.O=C1N/C(=C\c2ccncc2)C(=O)N1C1CC(F)(F)C1
InChIInChI=1S/C13H11F2N3O2.C2H6/c14-13(15)6-9(7-13)18-11(19)10(17-12(18)20)5-8-1-3-16-4-2-8;1-2/h1-5,9H,6-7H2,(H,17,20);1-2H3/b10-5-;
InChIKeyCQNJCZAQQGSWKU-WIMVAJRLSA-N
MW309.32 g/mol
LogP2.80
Rot. Bonds2

About (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane

(5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane (PubChem CID 144743088) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane.

Molecular Properties

Compound Name(5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane
PubChem CID144743088
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane
SMILESCC.O=C1N/C(=C\c2ccncc2)C(=O)N1C1CC(F)(F)C1
InChIInChI=1S/C13H11F2N3O2.C2H6/c14-13(15)6-9(7-13)18-11(19)10(17-12(18)20)5-8-1-3-16-4-2-8;1-2/h1-5,9H,6-7H2,(H,17,20);1-2H3/b10-5-;
InChIKeyCQNJCZAQQGSWKU-WIMVAJRLSA-N
XLogP2.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane?
The IUPAC name of (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane (CID 144743088) is (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane.
What is the SMILES notation for (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane?
The canonical SMILES for (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane is CC.O=C1N/C(=C\c2ccncc2)C(=O)N1C1CC(F)(F)C1.
What is the InChIKey of (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane?
The InChIKey is CQNJCZAQQGSWKU-WIMVAJRLSA-N. The full InChI is InChI=1S/C13H11F2N3O2.C2H6/c14-13(15)6-9(7-13)18-11(19)10(17-12(18)20)5-8-1-3-16-4-2-8;1-2/h1-5,9H,6-7H2,(H,17,20);1-2H3/b10-5-;.
What are the key properties of (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane?
(5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane has a molecular weight of 309.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3,3-difluorocyclobutyl)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione;ethane is sourced from PubChem (CID 144743088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).