3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C23H27FN4O2 — CID 47007374

IUPAC3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1cccc(N2CCN(CN3C(=O)C(C)N(c4ccc(F)cc4)C3=O)CC2)c1C
InChIInChI=1S/C23H27FN4O2/c1-16-5-4-6-21(17(16)2)26-13-11-25(12-14-26)15-27-22(29)18(3)28(23(27)30)20-9-7-19(24)8-10-20/h4-10,18H,11-15H2,1-3H3
InChIKeyBKMOMCFZDBKMJL-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.38
Rot. Bonds4

About 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 47007374) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID47007374
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1cccc(N2CCN(CN3C(=O)C(C)N(c4ccc(F)cc4)C3=O)CC2)c1C
InChIInChI=1S/C23H27FN4O2/c1-16-5-4-6-21(17(16)2)26-13-11-25(12-14-26)15-27-22(29)18(3)28(23(27)30)20-9-7-19(24)8-10-20/h4-10,18H,11-15H2,1-3H3
InChIKeyBKMOMCFZDBKMJL-UHFFFAOYSA-N
XLogP3.38
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.38
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

3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 47005605
(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9207232
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110883261
1-(2,3-dimethylphenyl)-4-[[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 56705553
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 17407367
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione
CID 51075561
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 155980992
2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8582755
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46809674
1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715523

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 47007374) is 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is Cc1cccc(N2CCN(CN3C(=O)C(C)N(c4ccc(F)cc4)C3=O)CC2)c1C.
What is the InChIKey of 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is BKMOMCFZDBKMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-16-5-4-6-21(17(16)2)26-13-11-25(12-14-26)15-27-22(29)18(3)28(23(27)30)20-9-7-19(24)8-10-20/h4-10,18H,11-15H2,1-3H3.
What are the key properties of 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 410.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 47007374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).