3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

C25H20ClN5O2 — CID 146037877

IUPAC3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C25H20ClN5O2/c26-22-14-8-7-9-18(22)15-30-16-21(28-29-30)17-31-23(32)25(27-24(31)33,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,16H,15,17H2,(H,27,33)
InChIKeyPLBADLUHASENJK-UHFFFAOYSA-N
MW457.92 g/mol
LogP3.98
Rot. Bonds6

About 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 146037877) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID146037877
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC Name3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C25H20ClN5O2/c26-22-14-8-7-9-18(22)15-30-16-21(28-29-30)17-31-23(32)25(27-24(31)33,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,16H,15,17H2,(H,27,33)
InChIKeyPLBADLUHASENJK-UHFFFAOYSA-N
XLogP3.98
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 127051980
(2S)-2-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methylcarbamoylamino]-N-hydroxy-2-phenylacetamide
CID 145962419
1-[(4-Aminophenyl)methyl]-3-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[(1-methyltriazol-4-yl)methyl]urea
CID 146424922
(5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 164633305
1-(2-chloro-6-fluorophenyl)-N-[1-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]cyclopentane-1-carboxamide
CID 91486146
3-[(1-Phenyl-1h-1,2,3-triazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037865
3-[(1-Benzyl-1h-1,2,3-triazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037870
3-[[1-(4-Methylbenzyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037873
3-[[1-(4-Chloro-2-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037884
3-[[1-(4-Chloro-3-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037885
3-[[1-(2-Chloro-4-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037886
5-(2-Chloro-4-fluorophenyl)-5-methyl-3-[(5-methylpyrazin-2-yl)methyl]imidazolidine-2,4-dione
CID 53615681

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 146037877) is 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(Cc2ccccc2Cl)nn1.
What is the InChIKey of 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is PLBADLUHASENJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c26-22-14-8-7-9-18(22)15-30-16-21(28-29-30)17-31-23(32)25(27-24(31)33,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,16H,15,17H2,(H,27,33).
What are the key properties of 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 457.92 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 146037877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).