5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide

C22H22N6O3 — CID 42920191

IUPAC5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O
InChIInChI=1S/C22H22N6O3/c1-15-18(25-28(24-15)17-11-7-4-8-12-17)19(29)26-27-20(30)22(2,23-21(27)31)14-13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H,23,31)(H,26,29)
InChIKeyAABVYXCXNPCDHJ-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.16
Rot. Bonds6

About 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide

5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide (PubChem CID 42920191) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide
PubChem CID42920191
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O
InChIInChI=1S/C22H22N6O3/c1-15-18(25-28(24-15)17-11-7-4-8-12-17)19(29)26-27-20(30)22(2,23-21(27)31)14-13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H,23,31)(H,26,29)
InChIKeyAABVYXCXNPCDHJ-UHFFFAOYSA-N
XLogP2.16
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide (CID 42920191) is 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O.
What is the InChIKey of 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide?
The InChIKey is AABVYXCXNPCDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-15-18(25-28(24-15)17-11-7-4-8-12-17)19(29)26-27-20(30)22(2,23-21(27)31)14-13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H,23,31)(H,26,29).
What are the key properties of 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide?
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 42920191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).