(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C23H25FN4O3 — CID 9207232

IUPAC(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C23H25FN4O3/c1-16-3-7-20(8-4-16)28-17(2)22(30)27(23(28)31)15-21(29)26-13-11-25(12-14-26)19-9-5-18(24)6-10-19/h3-10,17H,11-15H2,1-2H3/t17-/m0/s1
InChIKeyQCXDJDYZPDHPRM-KRWDZBQOSA-N
MW424.48 g/mol
LogP2.64
Rot. Bonds4

About (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 9207232) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID9207232
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C23H25FN4O3/c1-16-3-7-20(8-4-16)28-17(2)22(30)27(23(28)31)15-21(29)26-13-11-25(12-14-26)19-9-5-18(24)6-10-19/h3-10,17H,11-15H2,1-2H3/t17-/m0/s1
InChIKeyQCXDJDYZPDHPRM-KRWDZBQOSA-N
XLogP2.64
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46810764
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 18074159
N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51639717
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
N-carbamoyl-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3678358
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
CID 6459911
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 1121259
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 17407367
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-1,4-benzoxazin-3-one
CID 46857251
2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 92718268
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20928916
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 47007374

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 9207232) is (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is QCXDJDYZPDHPRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-16-3-7-20(8-4-16)28-17(2)22(30)27(23(28)31)15-21(29)26-13-11-25(12-14-26)19-9-5-18(24)6-10-19/h3-10,17H,11-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 424.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9207232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).