3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C23H27ClN4O2 — CID 46191860

IUPAC3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C23H27ClN4O2/c1-23(18-7-3-2-4-8-18)21(29)28(22(30)25-23)12-6-11-26-13-15-27(16-14-26)20-10-5-9-19(24)17-20/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,30)
InChIKeyKYCKSTNLWKOHQH-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.32
Rot. Bonds6

About 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 46191860) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID46191860
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C23H27ClN4O2/c1-23(18-7-3-2-4-8-18)21(29)28(22(30)25-23)12-6-11-26-13-15-27(16-14-26)20-10-5-9-19(24)17-20/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,30)
InChIKeyKYCKSTNLWKOHQH-UHFFFAOYSA-N
XLogP3.32
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.32
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-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 46191860) is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O.
What is the InChIKey of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is KYCKSTNLWKOHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-23(18-7-3-2-4-8-18)21(29)28(22(30)25-23)12-6-11-26-13-15-27(16-14-26)20-10-5-9-19(24)17-20/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,30).
What are the key properties of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 426.95 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 46191860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).