3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C23H20FN3O2 — CID 142686808

IUPAC3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2cc(-c3ccccc3)ccc2F)C(=O)N1Cc1ccncc1
InChIInChI=1S/C23H20FN3O2/c1-23(2)21(28)27(22(29)26(23)15-16-10-12-25-13-11-16)20-14-18(8-9-19(20)24)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3
InChIKeyUKLCPFQOYDNZQT-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.64
Rot. Bonds4

About 3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 142686808) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID142686808
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2cc(-c3ccccc3)ccc2F)C(=O)N1Cc1ccncc1
InChIInChI=1S/C23H20FN3O2/c1-23(2)21(28)27(22(29)26(23)15-16-10-12-25-13-11-16)20-14-18(8-9-19(20)24)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3
InChIKeyUKLCPFQOYDNZQT-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-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 142686808) is 3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is CC1(C)C(=O)N(c2cc(-c3ccccc3)ccc2F)C(=O)N1Cc1ccncc1.
What is the InChIKey of 3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is UKLCPFQOYDNZQT-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)20-14-18(8-9-19(20)24)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3.
What are the key properties of 3-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
3-(2-fluoro-5-phenylphenyl)-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-(2-fluoro-5-phenylphenyl)-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 142686808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).