1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole

C19H13Cl2N3 — CID 155518831

IUPAC1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole
SMILESClc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3/c20-15-9-10-16(17(21)11-15)14-7-5-13(6-8-14)12-24-19-4-2-1-3-18(19)22-23-24/h1-11H,12H2
InChIKeyLGUSEIYHPBMFKA-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.45
Rot. Bonds3

About 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole

1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole (PubChem CID 155518831) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole
PubChem CID155518831
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC Name1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole
SMILESClc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3/c20-15-9-10-16(17(21)11-15)14-7-5-13(6-8-14)12-24-19-4-2-1-3-18(19)22-23-24/h1-11H,12H2
InChIKeyLGUSEIYHPBMFKA-UHFFFAOYSA-N
XLogP5.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole?
The IUPAC name of 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole (CID 155518831) is 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole.
What is the SMILES notation for 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole?
The canonical SMILES for 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole is Clc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)c(Cl)c1.
What is the InChIKey of 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole?
The InChIKey is LGUSEIYHPBMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c20-15-9-10-16(17(21)11-15)14-7-5-13(6-8-14)12-24-19-4-2-1-3-18(19)22-23-24/h1-11H,12H2.
What are the key properties of 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole?
1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole has a molecular weight of 354.24 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,4-dichlorophenyl)phenyl]methyl]benzotriazole is sourced from PubChem (CID 155518831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).