1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole

C17H16N2 — CID 158537931

IUPAC1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
SMILES[2H]C([2H])([2H])c1cccc(C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C17H16N2/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15/h3-12H,1-2H3/i1D3
InChIKeyDNQQLTJLFCPFKA-FIBGUPNXSA-N
MW251.35 g/mol
LogP4.16
Rot. Bonds3

About 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole

1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole (PubChem CID 158537931) has the molecular formula C17H16N2 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
PubChem CID158537931
Molecular FormulaC17H16N2
Molecular Weight251.35 g/mol
Exact Mass251.15
IUPAC Name1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
SMILES[2H]C([2H])([2H])c1cccc(C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C17H16N2/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15/h3-12H,1-2H3/i1D3
InChIKeyDNQQLTJLFCPFKA-FIBGUPNXSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
CID 144549338
1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole
CID 58059176
9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole
CID 140799994
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
1-(4-methyl-2,6-diphenylphenyl)-2-(2-methylphenyl)imidazole
CID 58750814
1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole
CID 58175669
1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
CID 58750753
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)imidazole
CID 163593022
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole?
The IUPAC name of 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole (CID 158537931) is 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole.
What is the SMILES notation for 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole?
The canonical SMILES for 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole is [2H]C([2H])([2H])c1cccc(C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole?
The InChIKey is DNQQLTJLFCPFKA-FIBGUPNXSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15/h3-12H,1-2H3/i1D3.
What are the key properties of 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole?
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole has a molecular weight of 251.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole is sourced from PubChem (CID 158537931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).