5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C26H34N6O3 — CID 68655681

IUPAC5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)Nc1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C26H34N6O3/c1-18(2)28-22-7-6-20(16-21(22)23(33)30-14-12-29(5)13-15-30)32-24(34)26(3,4)31(25(32)35)17-19-8-10-27-11-9-19/h6-11,16,18,28H,12-15,17H2,1-5H3
InChIKeyREWLWHLTAILGPG-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.04
Rot. Bonds6

About 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 68655681) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID68655681
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)Nc1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C26H34N6O3/c1-18(2)28-22-7-6-20(16-21(22)23(33)30-14-12-29(5)13-15-30)32-24(34)26(3,4)31(25(32)35)17-19-8-10-27-11-9-19/h6-11,16,18,28H,12-15,17H2,1-5H3
InChIKeyREWLWHLTAILGPG-UHFFFAOYSA-N
XLogP3.04
TPSA89.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 68655681) is 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is CC(C)Nc1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1C(=O)N1CCN(C)CC1.
What is the InChIKey of 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is REWLWHLTAILGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-18(2)28-22-7-6-20(16-21(22)23(33)30-14-12-29(5)13-15-30)32-24(34)26(3,4)31(25(32)35)17-19-8-10-27-11-9-19/h6-11,16,18,28H,12-15,17H2,1-5H3.
What are the key properties of 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 478.60 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 68655681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).