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

C19H14N4O — CID 135719504

IUPAC2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C19H14N4O/c24-19-9-5-4-6-14(19)13-20-15-10-11-17-18(12-15)22-23(21-17)16-7-2-1-3-8-16/h1-13,24H/b20-13+
InChIKeyRYCGECJJNAOURV-DEDYPNTBSA-N
MW314.35 g/mol
LogP3.88
Rot. Bonds3

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

2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol (PubChem CID 135719504) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol
PubChem CID135719504
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C19H14N4O/c24-19-9-5-4-6-14(19)13-20-15-10-11-17-18(12-15)22-23(21-17)16-7-2-1-3-8-16/h1-13,24H/b20-13+
InChIKeyRYCGECJJNAOURV-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-(2H-benzotriazol-5-yliminomethyl)-4-bromophenol
CID 135445498
2(3-Ethyl-4-hydroxyphenyl)2h-benzotriazole
CID 102011482
2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-5-methylphenol
CID 794146
2(3-Vinyl-4-hydroxyphenyl)2h-benzotriazole
CID 102011483
2-[4-(5-Fluorobenzotriazol-2-yl)phenyl]phenol
CID 175240788
(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-(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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol?
The IUPAC name of 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol (CID 135719504) is 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol?
The InChIKey is RYCGECJJNAOURV-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19-9-5-4-6-14(19)13-20-15-10-11-17-18(12-15)22-23(21-17)16-7-2-1-3-8-16/h1-13,24H/b20-13+.
What are the key properties of 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol?
2-[(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 2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenol is sourced from PubChem (CID 135719504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).