5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

C25H30N4O2 — CID 46191862

IUPAC5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(C2CC2)C(=O)N1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H30N4O2/c30-23-25(21-12-13-21,20-8-3-1-4-9-20)26-24(31)29(23)15-7-14-27-16-18-28(19-17-27)22-10-5-2-6-11-22/h1-6,8-11,21H,7,12-19H2,(H,26,31)
InChIKeyPWWUTCMTIBQNTN-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.06
Rot. Bonds7

About 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 46191862) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID46191862
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(C2CC2)C(=O)N1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H30N4O2/c30-23-25(21-12-13-21,20-8-3-1-4-9-20)26-24(31)29(23)15-7-14-27-16-18-28(19-17-27)22-10-5-2-6-11-22/h1-6,8-11,21H,7,12-19H2,(H,26,31)
InChIKeyPWWUTCMTIBQNTN-UHFFFAOYSA-N
XLogP3.06
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.06
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 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (CID 46191862) is 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(C2CC2)C(=O)N1CCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is PWWUTCMTIBQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-23-25(21-12-13-21,20-8-3-1-4-9-20)26-24(31)29(23)15-7-14-27-16-18-28(19-17-27)22-10-5-2-6-11-22/h1-6,8-11,21H,7,12-19H2,(H,26,31).
What are the key properties of 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 418.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46191862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).