4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol

C19H14N4O — CID 555179

IUPAC4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C19H14N4O/c24-17-9-6-14(7-10-17)13-20-15-8-11-18-19(12-15)22-23(21-18)16-4-2-1-3-5-16/h1-13,24H/b20-13+
InChIKeyORSZFQRNPWQYLL-DEDYPNTBSA-N
MW314.35 g/mol
LogP3.88
Rot. Bonds3

About 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol

4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol (PubChem CID 555179) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol
PubChem CID555179
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C19H14N4O/c24-17-9-6-14(7-10-17)13-20-15-8-11-18-19(12-15)22-23(21-18)16-4-2-1-3-5-16/h1-13,24H/b20-13+
InChIKeyORSZFQRNPWQYLL-DEDYPNTBSA-N
XLogP3.88
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2(2-hydroxy-5-vinylphenyl)2H-benzotriazole
CID 14418980
2-Amino-6-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenol
CID 617676
(E)-2-(4-fluorobenzotriazol-2-yl)-3-(4-hydroxyphenyl)prop-2-enenitrile
CID 166610845
(E)-2-(2H-Benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl)phenol
CID 136592073
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-methylphenol
CID 793990
N-(4-methoxybenzylidene)-2-phenyl-2H-1,2,3-benzotriazol-5-amine
CID 5337648
6-(Salicylideneamino)-1H-benzotriazole
CID 548523
4-Bromo-2-(2-phenyl-2H-benzotriazol-5-yliminomethyl)phenol
CID 555309
6-[(3-Allylsalicylidene)amino]-1H-benzotriazole
CID 624125
2-(5-Aminobenzotriazol-2-yl)-4-methylphenol
CID 18668097
2H-benzotriazole;4-ethenylphenol
CID 19604051
2-(Benzotriazol-2-yl)-4-benzylphenol
CID 20364759

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol?
The IUPAC name of 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol (CID 555179) is 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol is Oc1ccc(/C=N/c2ccc3nn(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol?
The InChIKey is ORSZFQRNPWQYLL-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H14N4O/c24-17-9-6-14(7-10-17)13-20-15-8-11-18-19(12-15)22-23(21-18)16-4-2-1-3-5-16/h1-13,24H/b20-13+.
What are the key properties of 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol?
4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol has a molecular weight of 314.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol is sourced from PubChem (CID 555179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).