3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride

C31H37ClN4O2 — CID 90654832

IUPAC3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride
SMILESCN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl
InChIInChI=1S/C31H36N4O2.ClH/c1-32-29(36)31(26-14-6-2-7-15-26,27-16-8-3-9-17-27)35(30(32)37)21-13-5-12-20-33-22-24-34(25-23-33)28-18-10-4-11-19-28;/h2-4,6-11,14-19H,5,12-13,20-25H2,1H3;1H
InChIKeyQOUMVERMRHELNG-UHFFFAOYSA-N
MW533.12 g/mol
LogP5.24
Rot. Bonds9

About 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride

3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 90654832) has the molecular formula C31H37ClN4O2 and a molecular weight of 533.12 g/mol. Its IUPAC name is 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID90654832
Molecular FormulaC31H37ClN4O2
Molecular Weight533.12 g/mol
Exact Mass532.26
IUPAC Name3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride
SMILESCN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl
InChIInChI=1S/C31H36N4O2.ClH/c1-32-29(36)31(26-14-6-2-7-15-26,27-16-8-3-9-17-27)35(30(32)37)21-13-5-12-20-33-22-24-34(25-23-33)28-18-10-4-11-19-28;/h2-4,6-11,14-19H,5,12-13,20-25H2,1H3;1H
InChIKeyQOUMVERMRHELNG-UHFFFAOYSA-N
XLogP5.24
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.12
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride (CID 90654832) is 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride is CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl.
What is the InChIKey of 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is QOUMVERMRHELNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2.ClH/c1-32-29(36)31(26-14-6-2-7-15-26,27-16-8-3-9-17-27)35(30(32)37)21-13-5-12-20-33-22-24-34(25-23-33)28-18-10-4-11-19-28;/h2-4,6-11,14-19H,5,12-13,20-25H2,1H3;1H.
What are the key properties of 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride?
3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 533.12 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 90654832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).