3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C26H25FN4O3 — CID 55342804

IUPAC3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O
InChIInChI=1S/C26H25FN4O3/c1-26(20-11-10-18-6-2-3-7-19(18)16-20)24(33)31(25(34)28-26)17-23(32)30-14-12-29(13-15-30)22-9-5-4-8-21(22)27/h2-11,16H,12-15,17H2,1H3,(H,28,34)
InChIKeyWEJHZPBADMEVOP-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.09
Rot. Bonds4

About 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 55342804) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID55342804
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O
InChIInChI=1S/C26H25FN4O3/c1-26(20-11-10-18-6-2-3-7-19(18)16-20)24(33)31(25(34)28-26)17-23(32)30-14-12-29(13-15-30)22-9-5-4-8-21(22)27/h2-11,16H,12-15,17H2,1H3,(H,28,34)
InChIKeyWEJHZPBADMEVOP-UHFFFAOYSA-N
XLogP3.09
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
(5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione
CID 52909883
N-[(2-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18170358
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154860165
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 40794608
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154834533
N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 41023343
N-[(4-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546321
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 55342804) is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is WEJHZPBADMEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-26(20-11-10-18-6-2-3-7-19(18)16-20)24(33)31(25(34)28-26)17-23(32)30-14-12-29(13-15-30)22-9-5-4-8-21(22)27/h2-11,16H,12-15,17H2,1H3,(H,28,34).
What are the key properties of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 460.51 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 55342804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).