3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C27H28FN3O3 — CID 118760570

IUPAC3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCN(Cc3ccccc3-c3ccco3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H28FN3O3/c1-27(25(32)31(26(33)29-27)17-19-8-10-22(28)11-9-19)21-12-14-30(15-13-21)18-20-5-2-3-6-23(20)24-7-4-16-34-24/h2-11,16,21H,12-15,17-18H2,1H3,(H,29,33)
InChIKeyQXGLTALKAYFCOP-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.81
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 118760570) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID118760570
Molecular FormulaC27H28FN3O3
Molecular Weight461.54 g/mol
Exact Mass461.21
IUPAC Name3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCN(Cc3ccccc3-c3ccco3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H28FN3O3/c1-27(25(32)31(26(33)29-27)17-19-8-10-22(28)11-9-19)21-12-14-30(15-13-21)18-20-5-2-3-6-23(20)24-7-4-16-34-24/h2-11,16,21H,12-15,17-18H2,1H3,(H,29,33)
InChIKeyQXGLTALKAYFCOP-UHFFFAOYSA-N
XLogP4.81
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.81
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-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26325942
N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 26346018
5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45182819
(5S)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282965
(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282962
(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42331802
(5R)-5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42166777
(3R)-8-[[2-(furan-2-yl)phenyl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97199846
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45173762
5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 84601768
(5S)-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42372566
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043083

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 118760570) is 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CC1(C2CCN(Cc3ccccc3-c3ccco3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QXGLTALKAYFCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3/c1-27(25(32)31(26(33)29-27)17-19-8-10-22(28)11-9-19)21-12-14-30(15-13-21)18-20-5-2-3-6-23(20)24-7-4-16-34-24/h2-11,16,21H,12-15,17-18H2,1H3,(H,29,33).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 461.54 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 118760570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).