1-[(3-benzylphenyl)methyl]-4-phenyltriazole

C22H19N3 — CID 11993966

IUPAC1-[(3-benzylphenyl)methyl]-4-phenyltriazole
SMILESc1ccc(Cc2cccc(Cn3cc(-c4ccccc4)nn3)c2)cc1
InChIInChI=1S/C22H19N3/c1-3-8-18(9-4-1)14-19-10-7-11-20(15-19)16-25-17-22(23-24-25)21-12-5-2-6-13-21/h1-13,15,17H,14,16H2
InChIKeyIODRNIDGORRMES-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.58
Rot. Bonds5

About 1-[(3-benzylphenyl)methyl]-4-phenyltriazole

1-[(3-benzylphenyl)methyl]-4-phenyltriazole (PubChem CID 11993966) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[(3-benzylphenyl)methyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[(3-benzylphenyl)methyl]-4-phenyltriazole
PubChem CID11993966
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1-[(3-benzylphenyl)methyl]-4-phenyltriazole
SMILESc1ccc(Cc2cccc(Cn3cc(-c4ccccc4)nn3)c2)cc1
InChIInChI=1S/C22H19N3/c1-3-8-18(9-4-1)14-19-10-7-11-20(15-19)16-25-17-22(23-24-25)21-12-5-2-6-13-21/h1-13,15,17H,14,16H2
InChIKeyIODRNIDGORRMES-UHFFFAOYSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylsulfanylphenyl)methyl]-4-phenyltriazole
CID 174984307
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57390248
1-benzyl-4-(3-ethynylphenyl)triazole
CID 132526695
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
[4-[(4-phenyltriazol-1-yl)methyl]phenyl]borinic acid
CID 143877814
5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol
CID 57399005
5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
CID 147598461
[3-(1-benzyltriazol-4-yl)phenyl] N-methylcarbamate
CID 66593699
1,4-dibenzyltriazole
CID 56663361
4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
CID 132549186

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzylphenyl)methyl]-4-phenyltriazole?
The IUPAC name of 1-[(3-benzylphenyl)methyl]-4-phenyltriazole (CID 11993966) is 1-[(3-benzylphenyl)methyl]-4-phenyltriazole.
What is the SMILES notation for 1-[(3-benzylphenyl)methyl]-4-phenyltriazole?
The canonical SMILES for 1-[(3-benzylphenyl)methyl]-4-phenyltriazole is c1ccc(Cc2cccc(Cn3cc(-c4ccccc4)nn3)c2)cc1.
What is the InChIKey of 1-[(3-benzylphenyl)methyl]-4-phenyltriazole?
The InChIKey is IODRNIDGORRMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-3-8-18(9-4-1)14-19-10-7-11-20(15-19)16-25-17-22(23-24-25)21-12-5-2-6-13-21/h1-13,15,17H,14,16H2.
What are the key properties of 1-[(3-benzylphenyl)methyl]-4-phenyltriazole?
1-[(3-benzylphenyl)methyl]-4-phenyltriazole has a molecular weight of 325.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzylphenyl)methyl]-4-phenyltriazole is sourced from PubChem (CID 11993966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).