5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

C24H30ClN5O2 — CID 45181155

IUPAC5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)NC(CC)(C2CCN(Cc3cn[nH]c3-c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C24H30ClN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,13,19H,2,4,9-12,14-15H2,1,3H3,(H,26,28)(H,27,32)
InChIKeyUVQCYFWBNLFWAQ-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.22
Rot. Bonds7

About 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 45181155) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
PubChem CID45181155
Molecular FormulaC24H30ClN5O2
Molecular Weight455.99 g/mol
Exact Mass455.21
IUPAC Name5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)NC(CC)(C2CCN(Cc3cn[nH]c3-c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C24H30ClN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,13,19H,2,4,9-12,14-15H2,1,3H3,(H,26,28)(H,27,32)
InChIKeyUVQCYFWBNLFWAQ-UHFFFAOYSA-N
XLogP4.22
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (CID 45181155) is 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is C=C(C)CN1C(=O)NC(CC)(C2CCN(Cc3cn[nH]c3-c3ccc(Cl)cc3)CC2)C1=O.
What is the InChIKey of 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is UVQCYFWBNLFWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,13,19H,2,4,9-12,14-15H2,1,3H3,(H,26,28)(H,27,32).
What are the key properties of 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 455.99 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).