N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

C24H19ClN6O3 — CID 146123674

IUPACN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C24H19ClN6O3/c1-24(16-11-10-14-6-2-3-7-15(14)12-16)21(33)31(23(34)28-24)13-19(32)26-22-27-20(29-30-22)17-8-4-5-9-18(17)25/h2-12H,13H2,1H3,(H,28,34)(H2,26,27,29,30,32)
InChIKeyZINCCMKYCAOHAT-UHFFFAOYSA-N
MW474.91 g/mol
LogP3.68
Rot. Bonds5

About N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 146123674) has the molecular formula C24H19ClN6O3 and a molecular weight of 474.91 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID146123674
Molecular FormulaC24H19ClN6O3
Molecular Weight474.91 g/mol
Exact Mass474.12
IUPAC NameN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C24H19ClN6O3/c1-24(16-11-10-14-6-2-3-7-15(14)12-16)21(33)31(23(34)28-24)13-19(32)26-22-27-20(29-30-22)17-8-4-5-9-18(17)25/h2-12H,13H2,1H3,(H,28,34)(H2,26,27,29,30,32)
InChIKeyZINCCMKYCAOHAT-UHFFFAOYSA-N
XLogP3.68
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.91
LogP ≤ 53.68
H-Bond Donors ≤ 53
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-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 146123674) is N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1=O.
What is the InChIKey of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is ZINCCMKYCAOHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3/c1-24(16-11-10-14-6-2-3-7-15(14)12-16)21(33)31(23(34)28-24)13-19(32)26-22-27-20(29-30-22)17-8-4-5-9-18(17)25/h2-12H,13H2,1H3,(H,28,34)(H2,26,27,29,30,32).
What are the key properties of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 474.91 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 146123674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).