2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol

C23H24N4O — CID 155248900

IUPAC2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(-n2nc3ccc(Nc4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H24N4O/c1-15-12-18(23(2,3)4)22(28)21(13-15)27-25-19-11-10-17(14-20(19)26-27)24-16-8-6-5-7-9-16/h5-14,24,28H,1-4H3
InChIKeyVWXXDDPDFGYXHM-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.48
Rot. Bonds3

About 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol

2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol (PubChem CID 155248900) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol
PubChem CID155248900
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(-n2nc3ccc(Nc4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H24N4O/c1-15-12-18(23(2,3)4)22(28)21(13-15)27-25-19-11-10-17(14-20(19)26-27)24-16-8-6-5-7-9-16/h5-14,24,28H,1-4H3
InChIKeyVWXXDDPDFGYXHM-UHFFFAOYSA-N
XLogP5.48
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol
CID 164776488
2-tert-butyl-4-methyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204972
N-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]-3-oxobutanamide
CID 14274284
2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol
CID 154974006
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazole-5-carbonitrile
CID 87404105
2-tert-butyl-4-methyl-6-(5-methylbenzotriazol-2-yl)phenol;3-methylbut-3-en-2-one
CID 160836131
2-tert-butyl-6-(5-tert-butylsulfonylbenzotriazol-2-yl)-4-methylphenol
CID 176607492
2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol
CID 163427262
2-[5,6-bis(hydroxymethyl)benzotriazol-2-yl]-6-tert-butyl-4-methylphenol
CID 89032326
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(trideuteriomethyl)phenol
CID 139026087

Frequently Asked Questions

What is the IUPAC name of 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol?
The IUPAC name of 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol (CID 155248900) is 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol.
What is the SMILES notation for 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol?
The canonical SMILES for 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol is Cc1cc(-n2nc3ccc(Nc4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol?
The InChIKey is VWXXDDPDFGYXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-12-18(23(2,3)4)22(28)21(13-15)27-25-19-11-10-17(14-20(19)26-27)24-16-8-6-5-7-9-16/h5-14,24,28H,1-4H3.
What are the key properties of 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol?
2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol has a molecular weight of 372.47 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol is sourced from PubChem (CID 155248900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).