4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole

C28H23N3 — CID 4985670

IUPAC4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)n1Cc1ccccc1
InChIInChI=1S/C28H23N3/c1-21-10-8-9-15-26(21)28-30-29-27(31(28)20-22-11-4-2-5-12-22)25-18-16-24(17-19-25)23-13-6-3-7-14-23/h2-19H,20H2,1H3
InChIKeyPZVXKKHWAFFVHY-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.64
Rot. Bonds5

About 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole

4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole (PubChem CID 4985670) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
PubChem CID4985670
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC Name4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)n1Cc1ccccc1
InChIInChI=1S/C28H23N3/c1-21-10-8-9-15-26(21)28-30-29-27(31(28)20-22-11-4-2-5-12-22)25-18-16-24(17-19-25)23-13-6-3-7-14-23/h2-19H,20H2,1H3
InChIKeyPZVXKKHWAFFVHY-UHFFFAOYSA-N
XLogP6.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1-benzyl-5-methyl-2-phenylimidazole
CID 10467205
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428
4-benzyl-3-methoxy-5-methyl-1,2,4-triazole
CID 155312977
propan-2-yl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate
CID 2214445
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
4-benzyl-3-(2-methoxyphenyl)-5-[(2-phenylphenyl)methyl]-1,2,4-triazole
CID 102243934
1-benzyl-2-ethyl-6-phenylindole
CID 90874677
3-chloro-5-phenyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385746

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole (CID 4985670) is 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole is Cc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole?
The InChIKey is PZVXKKHWAFFVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3/c1-21-10-8-9-15-26(21)28-30-29-27(31(28)20-22-11-4-2-5-12-22)25-18-16-24(17-19-25)23-13-6-3-7-14-23/h2-19H,20H2,1H3.
What are the key properties of 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole?
4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole has a molecular weight of 401.51 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 4985670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).