2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol

C20H16N4O — CID 136592073

IUPAC2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol
SMILESCc1cc(/C=N/c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H16N4O/c1-14-11-15(13-21-16-7-3-2-4-8-16)20(25)19(12-14)24-22-17-9-5-6-10-18(17)23-24/h2-13,25H,1H3/b21-13+
InChIKeyHOUBLAGRSQDNQN-FYJGNVAPSA-N
MW328.38 g/mol
LogP4.19
Rot. Bonds3

About 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol

2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol (PubChem CID 136592073) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol
PubChem CID136592073
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol
SMILESCc1cc(/C=N/c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H16N4O/c1-14-11-15(13-21-16-7-3-2-4-8-16)20(25)19(12-14)24-22-17-9-5-6-10-18(17)23-24/h2-13,25H,1H3/b21-13+
InChIKeyHOUBLAGRSQDNQN-FYJGNVAPSA-N
XLogP4.19
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

Drometrizole
CID 17113
Octrizole
CID 62485
Bisoctrizole
CID 3571576
UV-328
CID 33263
Tinuvin
CID 62531
2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
CID 112412
2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
CID 77455
4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CID 118327
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
CID 688251
Drometrizole trisiloxane
CID 9848888
2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
CID 93481
2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
CID 9803353

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol (CID 136592073) is 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol is Cc1cc(/C=N/c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol?
The InChIKey is HOUBLAGRSQDNQN-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-11-15(13-21-16-7-3-2-4-8-16)20(25)19(12-14)24-22-17-9-5-6-10-18(17)23-24/h2-13,25H,1H3/b21-13+.
What are the key properties of 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol?
2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol has a molecular weight of 328.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol is sourced from PubChem (CID 136592073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).