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

C13H9Cl2N3 — CID 594606

IUPAC1-[(2,4-dichlorophenyl)methyl]benzotriazole
SMILESClc1ccc(Cn2nnc3ccccc32)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3/c14-10-6-5-9(11(15)7-10)8-18-13-4-2-1-3-12(13)16-17-18/h1-7H,8H2
InChIKeyIXURHHYNICUFTP-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.79
Rot. Bonds2

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

1-[(2,4-dichlorophenyl)methyl]benzotriazole (PubChem CID 594606) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]benzotriazole
PubChem CID594606
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]benzotriazole
SMILESClc1ccc(Cn2nnc3ccccc32)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3/c14-10-6-5-9(11(15)7-10)8-18-13-4-2-1-3-12(13)16-17-18/h1-7H,8H2
InChIKeyIXURHHYNICUFTP-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-1H-benzotriazole
CID 521212
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622
1-(3-Phenyl-2-propyn-1-yl)-1H-benzotriazole
CID 609250
Dibutyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 9909978
Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-pentyl-amine
CID 10388138
1-[[4-(2,4-Dichlorophenyl)phenyl]methyl]benzotriazole
CID 155518831
4-Bromo-1-[(2-chloro-4-fluorophenyl)methyl]benzotriazole
CID 155519573
4-Bromo-1-[(4-chloro-3-fluorophenyl)methyl]benzotriazole
CID 155519900
1-[[4-(2-Chloro-4-fluorophenyl)phenyl]methyl]benzotriazole
CID 155523303
1-[[4-(4-Chloro-2-fluorophenyl)phenyl]methyl]benzotriazole
CID 155551721
1-[[4-[2-Chloro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
CID 155560423

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]benzotriazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]benzotriazole (CID 594606) is 1-[(2,4-dichlorophenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]benzotriazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]benzotriazole is Clc1ccc(Cn2nnc3ccccc32)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]benzotriazole?
The InChIKey is IXURHHYNICUFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-10-6-5-9(11(15)7-10)8-18-13-4-2-1-3-12(13)16-17-18/h1-7H,8H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]benzotriazole?
1-[(2,4-dichlorophenyl)methyl]benzotriazole has a molecular weight of 278.14 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]benzotriazole is sourced from PubChem (CID 594606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).