1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

C18H16F3N3O4 — CID 151374576

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ncccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C18H16F3N3O4/c1-2-27-16-12(4-3-9-22-16)10-23-11-15(25)24(17(23)26)13-5-7-14(8-6-13)28-18(19,20)21/h3-9H,2,10-11H2,1H3
InChIKeyORDRFBJSYBBUCE-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.35
Rot. Bonds6

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 151374576) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID151374576
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ncccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C18H16F3N3O4/c1-2-27-16-12(4-3-9-22-16)10-23-11-15(25)24(17(23)26)13-5-7-14(8-6-13)28-18(19,20)21/h3-9H,2,10-11H2,1H3
InChIKeyORDRFBJSYBBUCE-UHFFFAOYSA-N
XLogP3.35
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 151374576) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is CCOc1ncccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is ORDRFBJSYBBUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-2-27-16-12(4-3-9-22-16)10-23-11-15(25)24(17(23)26)13-5-7-14(8-6-13)28-18(19,20)21/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 395.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 151374576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).