5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride

C29H31BrClN3O2 — CID 3043731

IUPAC5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(c2ccccc2)(c2ccc(Br)cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H30BrN3O2.ClH/c30-26-14-12-25(13-15-26)29(24-10-5-2-6-11-24)27(34)33(28(35)31-29)19-7-18-32-20-16-23(17-21-32)22-8-3-1-4-9-22;/h1-6,8-15,23H,7,16-21H2,(H,31,35);1H
InChIKeyXYHOEUXIHHNOGK-UHFFFAOYSA-N
MW568.94 g/mol
LogP5.94
Rot. Bonds7

About 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride

5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 3043731) has the molecular formula C29H31BrClN3O2 and a molecular weight of 568.94 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID3043731
Molecular FormulaC29H31BrClN3O2
Molecular Weight568.94 g/mol
Exact Mass567.13
IUPAC Name5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(c2ccccc2)(c2ccc(Br)cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H30BrN3O2.ClH/c30-26-14-12-25(13-15-26)29(24-10-5-2-6-11-24)27(34)33(28(35)31-29)19-7-18-32-20-16-23(17-21-32)22-8-3-1-4-9-22;/h1-6,8-15,23H,7,16-21H2,(H,31,35);1H
InChIKeyXYHOEUXIHHNOGK-UHFFFAOYSA-N
XLogP5.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.94
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride (CID 3043731) is 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride is Cl.O=C1NC(c2ccccc2)(c2ccc(Br)cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is XYHOEUXIHHNOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BrN3O2.ClH/c30-26-14-12-25(13-15-26)29(24-10-5-2-6-11-24)27(34)33(28(35)31-29)19-7-18-32-20-16-23(17-21-32)22-8-3-1-4-9-22;/h1-6,8-15,23H,7,16-21H2,(H,31,35);1H.
What are the key properties of 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride?
5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 568.94 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3043731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).