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

C19H13Cl2N3 — CID 5172576

IUPAC1-[bis(4-chlorophenyl)methyl]benzotriazole
SMILESClc1ccc(C(c2ccc(Cl)cc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H13Cl2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-18-4-2-1-3-17(18)22-23-24/h1-12,19H
InChIKeyXJLFKFZQCRXUEP-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.38
Rot. Bonds3

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

1-[bis(4-chlorophenyl)methyl]benzotriazole (PubChem CID 5172576) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]benzotriazole
PubChem CID5172576
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC Name1-[bis(4-chlorophenyl)methyl]benzotriazole
SMILESClc1ccc(C(c2ccc(Cl)cc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H13Cl2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-18-4-2-1-3-17(18)22-23-24/h1-12,19H
InChIKeyXJLFKFZQCRXUEP-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]benzotriazole?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]benzotriazole (CID 5172576) is 1-[bis(4-chlorophenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]benzotriazole?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]benzotriazole is Clc1ccc(C(c2ccc(Cl)cc2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]benzotriazole?
The InChIKey is XJLFKFZQCRXUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-18-4-2-1-3-17(18)22-23-24/h1-12,19H.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]benzotriazole?
1-[bis(4-chlorophenyl)methyl]benzotriazole has a molecular weight of 354.24 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]benzotriazole is sourced from PubChem (CID 5172576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).