3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione

C21H26N4O3 — CID 3041699

IUPAC3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(c3cccnc3)NC(=O)N(CC(C)CN(C)C)C2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-15(13-24(2)3)14-25-19(26)21(23-20(25)27,17-6-5-11-22-12-17)16-7-9-18(28-4)10-8-16/h5-12,15H,13-14H2,1-4H3,(H,23,27)
InChIKeyIYUUGMSXPOMPPV-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.08
Rot. Bonds7

About 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione

3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 3041699) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID3041699
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(c3cccnc3)NC(=O)N(CC(C)CN(C)C)C2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-15(13-24(2)3)14-25-19(26)21(23-20(25)27,17-6-5-11-22-12-17)16-7-9-18(28-4)10-8-16/h5-12,15H,13-14H2,1-4H3,(H,23,27)
InChIKeyIYUUGMSXPOMPPV-UHFFFAOYSA-N
XLogP2.08
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
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 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione (CID 3041699) is 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione is COc1ccc(C2(c3cccnc3)NC(=O)N(CC(C)CN(C)C)C2=O)cc1.
What is the InChIKey of 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is IYUUGMSXPOMPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(13-24(2)3)14-25-19(26)21(23-20(25)27,17-6-5-11-22-12-17)16-7-9-18(28-4)10-8-16/h5-12,15H,13-14H2,1-4H3,(H,23,27).
What are the key properties of 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 382.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2-methylpropyl]-5-(4-methoxyphenyl)-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 3041699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).