2-[bis(4-methoxyphenyl)methyl]benzotriazole

C21H19N3O2 — CID 3554312

IUPAC2-[bis(4-methoxyphenyl)methyl]benzotriazole
SMILESCOc1ccc(C(c2ccc(OC)cc2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C21H19N3O2/c1-25-17-11-7-15(8-12-17)21(16-9-13-18(26-2)14-10-16)24-22-19-5-3-4-6-20(19)23-24/h3-14,21H,1-2H3
InChIKeyPGOFFTQMRWTEPU-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.09
Rot. Bonds5

About 2-[bis(4-methoxyphenyl)methyl]benzotriazole

2-[bis(4-methoxyphenyl)methyl]benzotriazole (PubChem CID 3554312) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)methyl]benzotriazole
PubChem CID3554312
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[bis(4-methoxyphenyl)methyl]benzotriazole
SMILESCOc1ccc(C(c2ccc(OC)cc2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C21H19N3O2/c1-25-17-11-7-15(8-12-17)21(16-9-13-18(26-2)14-10-16)24-22-19-5-3-4-6-20(19)23-24/h3-14,21H,1-2H3
InChIKeyPGOFFTQMRWTEPU-UHFFFAOYSA-N
XLogP4.09
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[bis(4-methoxyphenyl)methyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)methyl]benzotriazole?
The IUPAC name of 2-[bis(4-methoxyphenyl)methyl]benzotriazole (CID 3554312) is 2-[bis(4-methoxyphenyl)methyl]benzotriazole.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)methyl]benzotriazole?
The canonical SMILES for 2-[bis(4-methoxyphenyl)methyl]benzotriazole is COc1ccc(C(c2ccc(OC)cc2)n2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)methyl]benzotriazole?
The InChIKey is PGOFFTQMRWTEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-25-17-11-7-15(8-12-17)21(16-9-13-18(26-2)14-10-16)24-22-19-5-3-4-6-20(19)23-24/h3-14,21H,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)methyl]benzotriazole?
2-[bis(4-methoxyphenyl)methyl]benzotriazole has a molecular weight of 345.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)methyl]benzotriazole is sourced from PubChem (CID 3554312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).