N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

C21H25Cl2N5O3 — CID 24525295

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C21H25Cl2N5O3/c1-3-9-21(10-4-2)19(30)27(20(31)26-21)13-18(29)25-17-8-11-24-28(17)12-14-15(22)6-5-7-16(14)23/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyZBFHOANSPGCBJU-UHFFFAOYSA-N
MW466.37 g/mol
LogP4.07
Rot. Bonds9

About N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (PubChem CID 24525295) has the molecular formula C21H25Cl2N5O3 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
PubChem CID24525295
Molecular FormulaC21H25Cl2N5O3
Molecular Weight466.37 g/mol
Exact Mass465.13
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C21H25Cl2N5O3/c1-3-9-21(10-4-2)19(30)27(20(31)26-21)13-18(29)25-17-8-11-24-28(17)12-14-15(22)6-5-7-16(14)23/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyZBFHOANSPGCBJU-UHFFFAOYSA-N
XLogP4.07
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 54.07
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 N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (CID 24525295) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1=O.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The InChIKey is ZBFHOANSPGCBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5O3/c1-3-9-21(10-4-2)19(30)27(20(31)26-21)13-18(29)25-17-8-11-24-28(17)12-14-15(22)6-5-7-16(14)23/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide has a molecular weight of 466.37 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24525295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).