1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol

C17H12N4O — CID 135978915

IUPAC1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H12N4O/c22-17-8-5-11-3-1-2-4-13(11)14(17)10-18-12-6-7-15-16(9-12)20-21-19-15/h1-10,22H,(H,19,20,21)/b18-10+
InChIKeySSASFVRWOGFUAS-VCHYOVAHSA-N
MW288.31 g/mol
LogP3.57
Rot. Bonds2

About 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol

1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol (PubChem CID 135978915) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol
PubChem CID135978915
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H12N4O/c22-17-8-5-11-3-1-2-4-13(11)14(17)10-18-12-6-7-15-16(9-12)20-21-19-15/h1-10,22H,(H,19,20,21)/b18-10+
InChIKeySSASFVRWOGFUAS-VCHYOVAHSA-N
XLogP3.57
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.57
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-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-1-naphthol
CID 794011
1-Benzotriazol-1-ylmethyl-naphthalen-2-OL
CID 4251724
1-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-2-naphthol
CID 1134228
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
1-[Benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol
CID 4265671
1-[1-(Benzotriazol-2-yl)heptyl]naphthalen-2-ol
CID 15062139
1-{(E)-[(5-methyl-2,1,3-benzothiadiazol-4-yl)imino]methyl}naphthalen-2-ol
CID 4523561
3-(2H-benzotriazol-5-yl)-2-(diethylaminomethyl)-4-(2-phenylpropan-2-yl)phenol
CID 54325146

Frequently Asked Questions

What is the IUPAC name of 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol (CID 135978915) is 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc2n[nH]nc2c1.
What is the InChIKey of 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol?
The InChIKey is SSASFVRWOGFUAS-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17-8-5-11-3-1-2-4-13(11)14(17)10-18-12-6-7-15-16(9-12)20-21-19-15/h1-10,22H,(H,19,20,21)/b18-10+.
What are the key properties of 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol?
1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol has a molecular weight of 288.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-benzotriazol-5-yliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 135978915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).