2-[2-(4-chlorophenyl)ethyl]benzotriazole

C14H12ClN3 — CID 134867987

IUPAC2-[2-(4-chlorophenyl)ethyl]benzotriazole
SMILESClc1ccc(CCn2nc3ccccc3n2)cc1
InChIInChI=1S/C14H12ClN3/c15-12-7-5-11(6-8-12)9-10-18-16-13-3-1-2-4-14(13)17-18/h1-8H,9-10H2
InChIKeyFUXSJJNCMLUOHY-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.33
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethyl]benzotriazole

2-[2-(4-chlorophenyl)ethyl]benzotriazole (PubChem CID 134867987) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]benzotriazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]benzotriazole
PubChem CID134867987
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-[2-(4-chlorophenyl)ethyl]benzotriazole
SMILESClc1ccc(CCn2nc3ccccc3n2)cc1
InChIInChI=1S/C14H12ClN3/c15-12-7-5-11(6-8-12)9-10-18-16-13-3-1-2-4-14(13)17-18/h1-8H,9-10H2
InChIKeyFUXSJJNCMLUOHY-UHFFFAOYSA-N
XLogP3.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
2-(benzotriazol-2-yl)ethanamine
CID 10487202
2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole
CID 63545217
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
CID 134123820
4,5-diphenyl-2-(2-phenylethyl)triazole
CID 102048499
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine
CID 83536334
2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1,3-benzothiazole
CID 11725902
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
CID 8685521
2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]benzotriazole?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]benzotriazole (CID 134867987) is 2-[2-(4-chlorophenyl)ethyl]benzotriazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]benzotriazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]benzotriazole is Clc1ccc(CCn2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]benzotriazole?
The InChIKey is FUXSJJNCMLUOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-12-7-5-11(6-8-12)9-10-18-16-13-3-1-2-4-14(13)17-18/h1-8H,9-10H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]benzotriazole?
2-[2-(4-chlorophenyl)ethyl]benzotriazole has a molecular weight of 257.72 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]benzotriazole is sourced from PubChem (CID 134867987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).