5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione

About 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione

5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437990) has the molecular formula C19H24ClFN4O4 and a molecular weight of 426.88 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID	121437990
Molecular Formula	C19H24ClFN4O4
Molecular Weight	426.88 g/mol
Exact Mass	426.15
IUPAC Name	5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILES	C[C@H]1CN(C(=O)C(CO)CC2(C)NC(=O)NC2=O)CCN1c1ccc(F)c(Cl)c1
InChI	InChI=1S/C19H24ClFN4O4/c1-11-9-24(5-6-25(11)13-3-4-15(21)14(20)7-13)16(27)12(10-26)8-19(2)17(28)22-18(29)23-19/h3-4,7,11-12,26H,5-6,8-10H2,1-2H3,(H2,22,23,28,29)/t11-,12?,19?/m0/s1
InChIKey	UONZPJLWJHHKJO-UHOVJUMYSA-N
XLogP	1.11
TPSA	101.98 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.88
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	3
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-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437990) is 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione is C[C@H]1CN(C(=O)C(CO)CC2(C)NC(=O)NC2=O)CCN1c1ccc(F)c(Cl)c1.

What is the InChIKey of 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is UONZPJLWJHHKJO-UHOVJUMYSA-N. The full InChI is InChI=1S/C19H24ClFN4O4/c1-11-9-24(5-6-25(11)13-3-4-15(21)14(20)7-13)16(27)12(10-26)8-19(2)17(28)22-18(29)23-19/h3-4,7,11-12,26H,5-6,8-10H2,1-2H3,(H2,22,23,28,29)/t11-,12?,19?/m0/s1.

What are the key properties of 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?

5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 426.88 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).