(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C19H25ClN4O3 — CID 121449011

IUPAC(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)CC[C@@]3(C)NC(=O)NC3=O)CC2)cc(C)c1Cl
InChIInChI=1S/C19H25ClN4O3/c1-12-10-14(11-13(2)16(12)20)23-6-8-24(9-7-23)15(25)4-5-19(3)17(26)21-18(27)22-19/h10-11H,4-9H2,1-3H3,(H2,21,22,26,27)/t19-/m1/s1
InChIKeyAMPYGJYISRINLS-LJQANCHMSA-N
MW392.89 g/mol
LogP1.98
Rot. Bonds4

About (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121449011) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121449011
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)CC[C@@]3(C)NC(=O)NC3=O)CC2)cc(C)c1Cl
InChIInChI=1S/C19H25ClN4O3/c1-12-10-14(11-13(2)16(12)20)23-6-8-24(9-7-23)15(25)4-5-19(3)17(26)21-18(27)22-19/h10-11H,4-9H2,1-3H3,(H2,21,22,26,27)/t19-/m1/s1
InChIKeyAMPYGJYISRINLS-LJQANCHMSA-N
XLogP1.98
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
5-[3-[4-(4-fluoro-3,5-dimethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 155773708
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 139581796
2-[4-[3-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]acetic acid;ethane
CID 145108957
5-(aminomethyl)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437901
3-[4-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 174993219
5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 139529999
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione
CID 137468089
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437573
5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidine-2,4-dione
CID 157376376

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121449011) is (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is Cc1cc(N2CCN(C(=O)CC[C@@]3(C)NC(=O)NC3=O)CC2)cc(C)c1Cl.
What is the InChIKey of (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AMPYGJYISRINLS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-12-10-14(11-13(2)16(12)20)23-6-8-24(9-7-23)15(25)4-5-19(3)17(26)21-18(27)22-19/h10-11H,4-9H2,1-3H3,(H2,21,22,26,27)/t19-/m1/s1.
What are the key properties of (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 392.89 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121449011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).