2-(2H-benzotriazol-5-yliminomethyl)phenol

C13H10N4O — CID 548523

IUPAC2-(2H-benzotriazol-5-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H10N4O/c18-13-4-2-1-3-9(13)8-14-10-5-6-11-12(7-10)16-17-15-11/h1-8,18H,(H,15,16,17)/b14-8+
InChIKeyPUDIPUXYRMEGIG-RIYZIHGNSA-N
MW238.25 g/mol
LogP2.41
Rot. Bonds2

About 2-(2H-benzotriazol-5-yliminomethyl)phenol

2-(2H-benzotriazol-5-yliminomethyl)phenol (PubChem CID 548523) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(2H-benzotriazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(2H-benzotriazol-5-yliminomethyl)phenol
PubChem CID548523
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-(2H-benzotriazol-5-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H10N4O/c18-13-4-2-1-3-9(13)8-14-10-5-6-11-12(7-10)16-17-15-11/h1-8,18H,(H,15,16,17)/b14-8+
InChIKeyPUDIPUXYRMEGIG-RIYZIHGNSA-N
XLogP2.41
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.41
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-(2H-benzotriazol-5-yliminomethyl)-4-bromophenol
CID 135445498
2-[(1H-benzotriazol-6-ylimino)methyl]-4,6-dichlorophenol
CID 135419023
2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-4-chlorophenol
CID 779833
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol
CID 754338
2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-5-methylphenol
CID 794146
2(3-Vinyl-4-hydroxyphenyl)2h-benzotriazole
CID 102011483
2-Hydroxyphenylbenzotriazole
CID 135828212
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-methylphenol
CID 793990
4-(2-Phenyl-2H-benzotriazol-5-yliminomethyl)phenol
CID 555179
4-Bromo-2-(2-phenyl-2H-benzotriazol-5-yliminomethyl)phenol
CID 555309
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)phenol?
The IUPAC name of 2-(2H-benzotriazol-5-yliminomethyl)phenol (CID 548523) is 2-(2H-benzotriazol-5-yliminomethyl)phenol.
What is the SMILES notation for 2-(2H-benzotriazol-5-yliminomethyl)phenol?
The canonical SMILES for 2-(2H-benzotriazol-5-yliminomethyl)phenol is Oc1ccccc1/C=N/c1ccc2n[nH]nc2c1.
What is the InChIKey of 2-(2H-benzotriazol-5-yliminomethyl)phenol?
The InChIKey is PUDIPUXYRMEGIG-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-4-2-1-3-9(13)8-14-10-5-6-11-12(7-10)16-17-15-11/h1-8,18H,(H,15,16,17)/b14-8+.
What are the key properties of 2-(2H-benzotriazol-5-yliminomethyl)phenol?
2-(2H-benzotriazol-5-yliminomethyl)phenol has a molecular weight of 238.25 g/mol, XLogP of 2.41, 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)phenol is sourced from PubChem (CID 548523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).