2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate

C83H121ClN10O9 — CID 91575904

IUPAC2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate
SMILESCC1C(=O)NC(=O)N1Cc1ccccc1.CCCCCCCCOC1C(C)(C)CN(C(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.Cc1cc(C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C44H84N2O5.C14H12ClN3O.C14H13N3O.C11H12N2O2/c1-11-13-15-17-23-27-31-49-40-41(3,4)35-45(36-42(40,5)6)38(47)29-25-21-19-20-22-26-30-39(48)51-37-33-43(7,8)46(44(9,10)34-37)50-32-28-24-18-16-14-12-2;1-8-5-9(2)14(19)13(6-8)18-16-11-4-3-10(15)7-12(11)17-18;1-9-7-10(2)14(18)13(8-9)17-15-11-5-3-4-6-12(11)16-17;1-8-10(14)12-11(15)13(8)7-9-5-3-2-4-6-9/h37,40H,11-36H2,1-10H3;3-7,19H,1-2H3;3-8,18H,1-2H3;2-6,8H,7H2,1H3,(H,12,14,15)
InChIKeyWAWYXGDOQRFANG-UHFFFAOYSA-N
MW1438.39 g/mol
LogP18.87
Rot. Bonds30

About 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate

2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate (PubChem CID 91575904) has the molecular formula C83H121ClN10O9 and a molecular weight of 1438.39 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate
PubChem CID91575904
Molecular FormulaC83H121ClN10O9
Molecular Weight1438.39 g/mol
Exact Mass1436.90
IUPAC Name2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate
SMILESCC1C(=O)NC(=O)N1Cc1ccccc1.CCCCCCCCOC1C(C)(C)CN(C(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.Cc1cc(C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C44H84N2O5.C14H12ClN3O.C14H13N3O.C11H12N2O2/c1-11-13-15-17-23-27-31-49-40-41(3,4)35-45(36-42(40,5)6)38(47)29-25-21-19-20-22-26-30-39(48)51-37-33-43(7,8)46(44(9,10)34-37)50-32-28-24-18-16-14-12-2;1-8-5-9(2)14(19)13(6-8)18-16-11-4-3-10(15)7-12(11)17-18;1-9-7-10(2)14(18)13(8-9)17-15-11-5-3-4-6-12(11)16-17;1-8-10(14)12-11(15)13(8)7-9-5-3-2-4-6-9/h37,40H,11-36H2,1-10H3;3-7,19H,1-2H3;3-8,18H,1-2H3;2-6,8H,7H2,1H3,(H,12,14,15)
InChIKeyWAWYXGDOQRFANG-UHFFFAOYSA-N
XLogP18.87
TPSA219.60 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.39
LogP ≤ 518.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate (CID 91575904) is 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate is CC1C(=O)NC(=O)N1Cc1ccccc1.CCCCCCCCOC1C(C)(C)CN(C(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.Cc1cc(C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate?
The InChIKey is WAWYXGDOQRFANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84N2O5.C14H12ClN3O.C14H13N3O.C11H12N2O2/c1-11-13-15-17-23-27-31-49-40-41(3,4)35-45(36-42(40,5)6)38(47)29-25-21-19-20-22-26-30-39(48)51-37-33-43(7,8)46(44(9,10)34-37)50-32-28-24-18-16-14-12-2;1-8-5-9(2)14(19)13(6-8)18-16-11-4-3-10(15)7-12(11)17-18;1-9-7-10(2)14(18)13(8-9)17-15-11-5-3-4-6-12(11)16-17;1-8-10(14)12-11(15)13(8)7-9-5-3-2-4-6-9/h37,40H,11-36H2,1-10H3;3-7,19H,1-2H3;3-8,18H,1-2H3;2-6,8H,7H2,1H3,(H,12,14,15).
What are the key properties of 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate?
2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate has a molecular weight of 1438.39 g/mol, XLogP of 18.87, 30 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate is sourced from PubChem (CID 91575904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).