(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione

C23H26FN5O3 — CID 124862563

IUPAC(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C23H26FN5O3/c24-18-5-3-4-17(14-18)16-29-22(31)20(26-23(29)32)15-21(30)28-12-10-27(11-13-28)9-7-19-6-1-2-8-25-19/h1-6,8,14,20H,7,9-13,15-16H2,(H,26,32)/t20-/m1/s1
InChIKeyNNDYSYXMCQSYAF-HXUWFJFHSA-N
MW439.49 g/mol
LogP1.42
Rot. Bonds7

About (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione

(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 124862563) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID124862563
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C23H26FN5O3/c24-18-5-3-4-17(14-18)16-29-22(31)20(26-23(29)32)15-21(30)28-12-10-27(11-13-28)9-7-19-6-1-2-8-25-19/h1-6,8,14,20H,7,9-13,15-16H2,(H,26,32)/t20-/m1/s1
InChIKeyNNDYSYXMCQSYAF-HXUWFJFHSA-N
XLogP1.42
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 51.42
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-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 124862563) is (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione is O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is NNDYSYXMCQSYAF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26FN5O3/c24-18-5-3-4-17(14-18)16-29-22(31)20(26-23(29)32)15-21(30)28-12-10-27(11-13-28)9-7-19-6-1-2-8-25-19/h1-6,8,14,20H,7,9-13,15-16H2,(H,26,32)/t20-/m1/s1.
What are the key properties of (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 439.49 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124862563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).