N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

C25H26ClN5O3 — CID 55481506

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C25H26ClN5O3/c1-16(2)17-8-10-19(11-9-17)25(3)23(33)30(24(34)29-25)15-22(32)28-21-12-13-27-31(21)14-18-6-4-5-7-20(18)26/h4-13,16H,14-15H2,1-3H3,(H,28,32)(H,29,34)
InChIKeyNCKUFRGCKBIQCF-UHFFFAOYSA-N
MW479.97 g/mol
LogP4.11
Rot. Bonds7

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 55481506) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
PubChem CID55481506
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C25H26ClN5O3/c1-16(2)17-8-10-19(11-9-17)25(3)23(33)30(24(34)29-25)15-22(32)28-21-12-13-27-31(21)14-18-6-4-5-7-20(18)26/h4-13,16H,14-15H2,1-3H3,(H,28,32)(H,29,34)
InChIKeyNCKUFRGCKBIQCF-UHFFFAOYSA-N
XLogP4.11
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 54.11
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-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (CID 55481506) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is CC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3Cl)C2=O)cc1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is NCKUFRGCKBIQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c1-16(2)17-8-10-19(11-9-17)25(3)23(33)30(24(34)29-25)15-22(32)28-21-12-13-27-31(21)14-18-6-4-5-7-20(18)26/h4-13,16H,14-15H2,1-3H3,(H,28,32)(H,29,34).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 479.97 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 55481506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).