3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C23H20FN3O2 — CID 69227584

IUPAC3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2cccc(-c3ccc(F)cc3)c2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C23H20FN3O2/c1-23(2)21(28)27(22(29)26(23)15-16-10-12-25-13-11-16)20-5-3-4-18(14-20)17-6-8-19(24)9-7-17/h3-14H,15H2,1-2H3
InChIKeyHGROSWCQPZZSPD-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.64
Rot. Bonds4

About 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 69227584) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID69227584
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2cccc(-c3ccc(F)cc3)c2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C23H20FN3O2/c1-23(2)21(28)27(22(29)26(23)15-16-10-12-25-13-11-16)20-5-3-4-18(14-20)17-6-8-19(24)9-7-17/h3-14H,15H2,1-2H3
InChIKeyHGROSWCQPZZSPD-UHFFFAOYSA-N
XLogP4.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 69227584) is 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is CC1(C)C(=O)N(c2cccc(-c3ccc(F)cc3)c2)C(=O)N1Cc1ccncc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is HGROSWCQPZZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-23(2)21(28)27(22(29)26(23)15-16-10-12-25-13-11-16)20-5-3-4-18(14-20)17-6-8-19(24)9-7-17/h3-14H,15H2,1-2H3.
What are the key properties of 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 389.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 69227584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).