1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione

C20H21N5O3 — CID 23382335

IUPAC1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)N(C)C(=O)C2(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H21N5O3/c1-12-9-13(11-24-19(28)23(4)18(27)20(24,2)3)17(26)16(10-12)25-21-14-7-5-6-8-15(14)22-25/h5-10,26H,11H2,1-4H3
InChIKeyQBZUNTLQAVMEMY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.61
Rot. Bonds3

About 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione

1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 23382335) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione
PubChem CID23382335
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)N(C)C(=O)C2(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H21N5O3/c1-12-9-13(11-24-19(28)23(4)18(27)20(24,2)3)17(26)16(10-12)25-21-14-7-5-6-8-15(14)22-25/h5-10,26H,11H2,1-4H3
InChIKeyQBZUNTLQAVMEMY-UHFFFAOYSA-N
XLogP2.61
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]imidazolidin-2-one
CID 139995346
1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]indole-3-carbaldehyde
CID 152961018
2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol
CID 21361938
4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl-methylamino]benzaldehyde
CID 154932011
1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 11057614
2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-4,5-dihydroisoindole-1,3-diol
CID 54341419
2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol
CID 148702623
3-[4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl-ethylamino]phenyl]prop-2-enal
CID 150552449
7-[4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl-methylamino]phenyl]-1,5-dioxocane-2,4-dione
CID 155783812
5-[[6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl-methylamino]naphthalen-2-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione
CID 154932006
2-(5-chlorobenzotriazol-2-yl)-6-(chloromethyl)-4-methylphenol
CID 67294335

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione (CID 23382335) is 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione is Cc1cc(CN2C(=O)N(C)C(=O)C2(C)C)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is QBZUNTLQAVMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-9-13(11-24-19(28)23(4)18(27)20(24,2)3)17(26)16(10-12)25-21-14-7-5-6-8-15(14)22-25/h5-10,26H,11H2,1-4H3.
What are the key properties of 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione?
1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 23382335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).