3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione

C19H22N4O2 — CID 3041697

IUPAC3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCN(C)CCCN1C(=O)NC(c2ccccc2)(c2cccnc2)C1=O
InChIInChI=1S/C19H22N4O2/c1-22(2)12-7-13-23-17(24)19(21-18(23)25,15-8-4-3-5-9-15)16-10-6-11-20-14-16/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,25)
InChIKeyZBQJKTLDPQFILX-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.83
Rot. Bonds6

About 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione

3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 3041697) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID3041697
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCN(C)CCCN1C(=O)NC(c2ccccc2)(c2cccnc2)C1=O
InChIInChI=1S/C19H22N4O2/c1-22(2)12-7-13-23-17(24)19(21-18(23)25,15-8-4-3-5-9-15)16-10-6-11-20-14-16/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,25)
InChIKeyZBQJKTLDPQFILX-UHFFFAOYSA-N
XLogP1.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione (CID 3041697) is 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione is CN(C)CCCN1C(=O)NC(c2ccccc2)(c2cccnc2)C1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is ZBQJKTLDPQFILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(2)12-7-13-23-17(24)19(21-18(23)25,15-8-4-3-5-9-15)16-10-6-11-20-14-16/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,25).
What are the key properties of 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione?
3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 338.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-5-phenyl-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 3041697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).