2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

C25H25N5O3 — CID 55840386

IUPAC2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1cccc(Cn2nccc2NC(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1
InChIInChI=1S/C25H25N5O3/c1-17-5-4-6-18(13-17)15-30-21(10-12-26-30)27-22(31)16-29-23(32)25(28-24(29)33)11-9-19-7-2-3-8-20(19)14-25/h2-8,10,12-13H,9,11,14-16H2,1H3,(H,27,31)(H,28,33)
InChIKeyJSNZMGFGAUBHEN-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.66
Rot. Bonds5

About 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 55840386) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID55840386
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1cccc(Cn2nccc2NC(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1
InChIInChI=1S/C25H25N5O3/c1-17-5-4-6-18(13-17)15-30-21(10-12-26-30)27-22(31)16-29-23(32)25(28-24(29)33)11-9-19-7-2-3-8-20(19)14-25/h2-8,10,12-13H,9,11,14-16H2,1H3,(H,27,31)(H,28,33)
InChIKeyJSNZMGFGAUBHEN-UHFFFAOYSA-N
XLogP2.66
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.66
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 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 55840386) is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is Cc1cccc(Cn2nccc2NC(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is JSNZMGFGAUBHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-17-5-4-6-18(13-17)15-30-21(10-12-26-30)27-22(31)16-29-23(32)25(28-24(29)33)11-9-19-7-2-3-8-20(19)14-25/h2-8,10,12-13H,9,11,14-16H2,1H3,(H,27,31)(H,28,33).
What are the key properties of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 55840386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).