1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole

C21H16ClN3 — CID 24864409

IUPAC1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole
SMILESClc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C21H16ClN3/c22-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)23-24-25(21)15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyXFFALGZNFGGNSK-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.31
Rot. Bonds4

About 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole

1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole (PubChem CID 24864409) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole
PubChem CID24864409
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole
SMILESClc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C21H16ClN3/c22-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)23-24-25(21)15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyXFFALGZNFGGNSK-UHFFFAOYSA-N
XLogP5.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2,4-Dichlorophenyl)phenyl]methyl]benzotriazole
CID 155518831
1-[[4-(4-Chloro-2-fluorophenyl)phenyl]methyl]benzotriazole
CID 155551721
1-[(4-Chlorophenyl)methyl]-1H-1,2,3-benzotriazole
CID 894883
1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-
CID 283388
2-[4,5-Bis(4-chlorophenyl)triazol-1-yl]-1-piperidin-1-ylethanone
CID 44572044
2-Benzyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazole
CID 76308186
1-Benzyl-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)triazole
CID 76315383
5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-1-propyltriazole
CID 76319050
2-[5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)triazol-1-yl]ethanol
CID 76322703
5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)triazole
CID 76322704
2-[4,5-bis(2,4-dichlorophenyl)triazol-1-yl]-N-methylideneacetamide
CID 44571484
1-Benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole
CID 139239897

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole?
The IUPAC name of 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole (CID 24864409) is 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole.
What is the SMILES notation for 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole?
The canonical SMILES for 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole is Clc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole?
The InChIKey is XFFALGZNFGGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c22-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)23-24-25(21)15-16-7-3-1-4-8-16/h1-14H,15H2.
What are the key properties of 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole?
1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole has a molecular weight of 345.83 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-chlorophenyl)-4-phenyltriazole is sourced from PubChem (CID 24864409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).