1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole

C21H21N5 — CID 155613266

IUPAC1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole
SMILESCc1cccc(C)c1-c1cnc(-c2ncnn2-c2c(C)cccc2C)[nH]1
InChIInChI=1S/C21H21N5/c1-13-7-5-8-14(2)18(13)17-11-22-20(25-17)21-23-12-24-26(21)19-15(3)9-6-10-16(19)4/h5-12H,1-4H3,(H,22,25)
InChIKeyNCIOEAOZZPUTAG-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.56
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole

1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole (PubChem CID 155613266) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole
PubChem CID155613266
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole
SMILESCc1cccc(C)c1-c1cnc(-c2ncnn2-c2c(C)cccc2C)[nH]1
InChIInChI=1S/C21H21N5/c1-13-7-5-8-14(2)18(13)17-11-22-20(25-17)21-23-12-24-26(21)19-15(3)9-6-10-16(19)4/h5-12H,1-4H3,(H,22,25)
InChIKeyNCIOEAOZZPUTAG-UHFFFAOYSA-N
XLogP4.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole?
The IUPAC name of 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole (CID 155613266) is 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole is Cc1cccc(C)c1-c1cnc(-c2ncnn2-c2c(C)cccc2C)[nH]1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole?
The InChIKey is NCIOEAOZZPUTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-13-7-5-8-14(2)18(13)17-11-22-20(25-17)21-23-12-24-26(21)19-15(3)9-6-10-16(19)4/h5-12H,1-4H3,(H,22,25).
What are the key properties of 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole?
1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole has a molecular weight of 343.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole is sourced from PubChem (CID 155613266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).