(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C26H28FN5O2 — CID 26325942

IUPAC(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nc2ccccc2nc1CN1CCC([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C26H28FN5O2/c1-17-23(29-22-6-4-3-5-21(22)28-17)16-31-13-11-19(12-14-31)26(2)24(33)32(25(34)30-26)15-18-7-9-20(27)10-8-18/h3-10,19H,11-16H2,1-2H3,(H,30,34)/t26-/m1/s1
InChIKeyXQXSANIVRZGUME-AREMUKBSSA-N
MW461.54 g/mol
LogP3.80
Rot. Bonds5

About (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 26325942) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID26325942
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nc2ccccc2nc1CN1CCC([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C26H28FN5O2/c1-17-23(29-22-6-4-3-5-21(22)28-17)16-31-13-11-19(12-14-31)26(2)24(33)32(25(34)30-26)15-18-7-9-20(27)10-8-18/h3-10,19H,11-16H2,1-2H3,(H,30,34)/t26-/m1/s1
InChIKeyXQXSANIVRZGUME-AREMUKBSSA-N
XLogP3.80
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 26325942) is (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1nc2ccccc2nc1CN1CCC([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XQXSANIVRZGUME-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-17-23(29-22-6-4-3-5-21(22)28-17)16-31-13-11-19(12-14-31)26(2)24(33)32(25(34)30-26)15-18-7-9-20(27)10-8-18/h3-10,19H,11-16H2,1-2H3,(H,30,34)/t26-/m1/s1.
What are the key properties of (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 461.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 26325942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).