5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione

About 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione

5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione (PubChem CID 140908344) has the molecular formula C26H30Cl2N4O4 and a molecular weight of 533.46 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name	5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione
PubChem CID	140908344
Molecular Formula	C26H30Cl2N4O4
Molecular Weight	533.46 g/mol
Exact Mass	532.16
IUPAC Name	5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione
SMILES	CC(CC1(COCc2ccccc2)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)[C@@H](C)C1
InChI	InChI=1S/C26H30Cl2N4O4/c1-17(13-26(24(34)29-25(35)30-26)16-36-15-19-6-4-3-5-7-19)23(33)31-8-9-32(18(2)14-31)22-11-20(27)10-21(28)12-22/h3-7,10-12,17-18H,8-9,13-16H2,1-2H3,(H2,29,30,34,35)/t17?,18-,26?/m0/s1
InChIKey	KDTVZAOXXUTYAG-ZDPBTNRZSA-N
XLogP	3.85
TPSA	90.98 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.46
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione (CID 140908344) is 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione is CC(CC1(COCc2ccccc2)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)[C@@H](C)C1.

What is the InChIKey of 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione?

The InChIKey is KDTVZAOXXUTYAG-ZDPBTNRZSA-N. The full InChI is InChI=1S/C26H30Cl2N4O4/c1-17(13-26(24(34)29-25(35)30-26)16-36-15-19-6-4-3-5-7-19)23(33)31-8-9-32(18(2)14-31)22-11-20(27)10-21(28)12-22/h3-7,10-12,17-18H,8-9,13-16H2,1-2H3,(H2,29,30,34,35)/t17?,18-,26?/m0/s1.

What are the key properties of 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione?

5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 533.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 140908344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).