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

C21H19N3O2 — CID 3722102

IUPAC1-[bis(4-methoxyphenyl)methyl]benzotriazole
SMILESCOc1ccc(C(c2ccc(OC)cc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C21H19N3O2/c1-25-17-11-7-15(8-12-17)21(16-9-13-18(26-2)14-10-16)24-20-6-4-3-5-19(20)22-23-24/h3-14,21H,1-2H3
InChIKeyFSQWADSRLRFJIF-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.09
Rot. Bonds5

About 1-[bis(4-methoxyphenyl)methyl]benzotriazole

1-[bis(4-methoxyphenyl)methyl]benzotriazole (PubChem CID 3722102) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)methyl]benzotriazole
PubChem CID3722102
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-[bis(4-methoxyphenyl)methyl]benzotriazole
SMILESCOc1ccc(C(c2ccc(OC)cc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C21H19N3O2/c1-25-17-11-7-15(8-12-17)21(16-9-13-18(26-2)14-10-16)24-20-6-4-3-5-19(20)22-23-24/h3-14,21H,1-2H3
InChIKeyFSQWADSRLRFJIF-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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)methyl]benzotriazole?
The IUPAC name of 1-[bis(4-methoxyphenyl)methyl]benzotriazole (CID 3722102) is 1-[bis(4-methoxyphenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)methyl]benzotriazole?
The canonical SMILES for 1-[bis(4-methoxyphenyl)methyl]benzotriazole is COc1ccc(C(c2ccc(OC)cc2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)methyl]benzotriazole?
The InChIKey is FSQWADSRLRFJIF-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)24-20-6-4-3-5-19(20)22-23-24/h3-14,21H,1-2H3.
What are the key properties of 1-[bis(4-methoxyphenyl)methyl]benzotriazole?
1-[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 1-[bis(4-methoxyphenyl)methyl]benzotriazole is sourced from PubChem (CID 3722102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).