2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole

C26H26N2O — CID 46232148

IUPAC2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole
SMILESCc1cccc(C)c1-c1ccc(OCc2ccccc2)c(-c2nc(C)c(C)[nH]2)c1
InChIInChI=1S/C26H26N2O/c1-17-9-8-10-18(2)25(17)22-13-14-24(29-16-21-11-6-5-7-12-21)23(15-22)26-27-19(3)20(4)28-26/h5-15H,16H2,1-4H3,(H,27,28)
InChIKeyNQZGDVLIIMYDHB-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.56
Rot. Bonds5

About 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole

2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole (PubChem CID 46232148) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole
PubChem CID46232148
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole
SMILESCc1cccc(C)c1-c1ccc(OCc2ccccc2)c(-c2nc(C)c(C)[nH]2)c1
InChIInChI=1S/C26H26N2O/c1-17-9-8-10-18(2)25(17)22-13-14-24(29-16-21-11-6-5-7-12-21)23(15-22)26-27-19(3)20(4)28-26/h5-15H,16H2,1-4H3,(H,27,28)
InChIKeyNQZGDVLIIMYDHB-UHFFFAOYSA-N
XLogP6.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole?
The IUPAC name of 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole (CID 46232148) is 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole?
The canonical SMILES for 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole is Cc1cccc(C)c1-c1ccc(OCc2ccccc2)c(-c2nc(C)c(C)[nH]2)c1.
What is the InChIKey of 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole?
The InChIKey is NQZGDVLIIMYDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-17-9-8-10-18(2)25(17)22-13-14-24(29-16-21-11-6-5-7-12-21)23(15-22)26-27-19(3)20(4)28-26/h5-15H,16H2,1-4H3,(H,27,28).
What are the key properties of 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole?
2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole has a molecular weight of 382.51 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethylphenyl)-2-phenylmethoxyphenyl]-4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 46232148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).