1-[(4-chlorophenyl)-phenylmethyl]benzotriazole

C19H14ClN3 — CID 3724229

IUPAC1-[(4-chlorophenyl)-phenylmethyl]benzotriazole
SMILESClc1ccc(C(c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H14ClN3/c20-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)21-22-23/h1-13,19H
InChIKeyBFJGEQFEOIWSRI-UHFFFAOYSA-N
MW319.80 g/mol
LogP4.72
Rot. Bonds3

About 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole

1-[(4-chlorophenyl)-phenylmethyl]benzotriazole (PubChem CID 3724229) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-phenylmethyl]benzotriazole
PubChem CID3724229
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]benzotriazole
SMILESClc1ccc(C(c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H14ClN3/c20-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)21-22-23/h1-13,19H
InChIKeyBFJGEQFEOIWSRI-UHFFFAOYSA-N
XLogP4.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 54.72
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
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
1-[[4-(2,4-Dichlorophenyl)phenyl]methyl]benzotriazole
CID 155518831
1-[[5-(4-Chloro-2-fluorophenyl)-2-pyridinyl]methyl]benzotriazole
CID 155519836
4-Bromo-1-[(4-chloro-3-fluorophenyl)methyl]benzotriazole
CID 155519900
1-[[4-(2-Chloro-4-fluorophenyl)phenyl]methyl]benzotriazole
CID 155523303
1-[[4-[2-Fluoro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
CID 155525998
1-[[6-(4-Chloro-2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155540333
1-[[6-(4-Chlorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155546950

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole?
The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole (CID 3724229) is 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole.
What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole?
The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole is Clc1ccc(C(c2ccccc2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole?
The InChIKey is BFJGEQFEOIWSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c20-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)21-22-23/h1-13,19H.
What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole?
1-[(4-chlorophenyl)-phenylmethyl]benzotriazole has a molecular weight of 319.80 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-phenylmethyl]benzotriazole is sourced from PubChem (CID 3724229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).