5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C20H25N5O2 — CID 56718903

IUPAC5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(Cc3ccnn3-c3ccccc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C20H25N5O2/c1-2-20(18(26)22-19(27)23-20)15-9-12-24(13-10-15)14-17-8-11-21-25(17)16-6-4-3-5-7-16/h3-8,11,15H,2,9-10,12-14H2,1H3,(H2,22,23,26,27)
InChIKeySVCPCSZMPBRTJW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.07
Rot. Bonds5

About 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 56718903) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID56718903
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(Cc3ccnn3-c3ccccc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C20H25N5O2/c1-2-20(18(26)22-19(27)23-20)15-9-12-24(13-10-15)14-17-8-11-21-25(17)16-6-4-3-5-7-16/h3-8,11,15H,2,9-10,12-14H2,1H3,(H2,22,23,26,27)
InChIKeySVCPCSZMPBRTJW-UHFFFAOYSA-N
XLogP2.07
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
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 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 56718903) is 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is CCC1(C2CCN(Cc3ccnn3-c3ccccc3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is SVCPCSZMPBRTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-20(18(26)22-19(27)23-20)15-9-12-24(13-10-15)14-17-8-11-21-25(17)16-6-4-3-5-7-16/h3-8,11,15H,2,9-10,12-14H2,1H3,(H2,22,23,26,27).
What are the key properties of 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 367.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 56718903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).