2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol

C14H12N4O — CID 135988523

IUPAC2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C14H12N4O/c1-9-2-5-14(19)10(6-9)8-15-11-3-4-12-13(7-11)17-18-16-12/h2-8,19H,1H3,(H,16,17,18)/b15-8+
InChIKeyWASKVCMQMNMAFS-OVCLIPMQSA-N
MW252.28 g/mol
LogP2.72
Rot. Bonds2

About 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol

2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol (PubChem CID 135988523) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol.

Molecular Properties

Compound Name2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol
PubChem CID135988523
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C14H12N4O/c1-9-2-5-14(19)10(6-9)8-15-11-3-4-12-13(7-11)17-18-16-12/h2-8,19H,1H3,(H,16,17,18)/b15-8+
InChIKeyWASKVCMQMNMAFS-OVCLIPMQSA-N
XLogP2.72
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1H-indazol-5-ylimino)methyl]-4-methylphenol
CID 795025
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-methylphenol
CID 3764715
2-(2H-benzotriazol-5-yliminomethyl)-4-bromophenol
CID 135445498
2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-5-methylphenol
CID 794146
4-Methyl6-benzotriazolylphenol
CID 135828214
(E)-2-(2H-Benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol
CID 136592073
1-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-2-naphthol
CID 779454
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-methylphenol
CID 793990
6-(Salicylideneamino)-1H-benzotriazole
CID 548523
4-(2-Phenyl-2H-benzotriazol-5-yliminomethyl)phenol
CID 555179
6-[(3-Allylsalicylidene)amino]-1H-benzotriazole
CID 624125
Phenol, 2-[(1H-benzotriazol-4-ylamino)methyl]-
CID 6405247

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol?
The IUPAC name of 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol (CID 135988523) is 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol.
What is the SMILES notation for 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol?
The canonical SMILES for 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol is Cc1ccc(O)c(/C=N/c2ccc3n[nH]nc3c2)c1.
What is the InChIKey of 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol?
The InChIKey is WASKVCMQMNMAFS-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-2-5-14(19)10(6-9)8-15-11-3-4-12-13(7-11)17-18-16-12/h2-8,19H,1H3,(H,16,17,18)/b15-8+.
What are the key properties of 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol?
2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol has a molecular weight of 252.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-5-yliminomethyl)-4-methylphenol is sourced from PubChem (CID 135988523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).