(2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole

C19H22N2 — CID 140920542

IUPAC(2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole
SMILES[2H]C([2H])([2H])c1ccccc1-c1cccc(N2C=CN(C([2H])([2H])[2H])[C@@H]2C)c1C
InChIInChI=1S/C19H22N2/c1-14-8-5-6-9-17(14)18-10-7-11-19(15(18)2)21-13-12-20(4)16(21)3/h5-13,16H,1-4H3/t16-/m0/s1/i1D3,4D3
InChIKeyLBAUSIKXWZMDTF-CJXXISATSA-N
MW284.44 g/mol
LogP4.54
Rot. Bonds4

About (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole

(2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole (PubChem CID 140920542) has the molecular formula C19H22N2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole.

Molecular Properties

Compound Name(2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole
PubChem CID140920542
Molecular FormulaC19H22N2
Molecular Weight284.44 g/mol
Exact Mass284.22
IUPAC Name(2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole
SMILES[2H]C([2H])([2H])c1ccccc1-c1cccc(N2C=CN(C([2H])([2H])[2H])[C@@H]2C)c1C
InChIInChI=1S/C19H22N2/c1-14-8-5-6-9-17(14)18-10-7-11-19(15(18)2)21-13-12-20(4)16(21)3/h5-13,16H,1-4H3/t16-/m0/s1/i1D3,4D3
InChIKeyLBAUSIKXWZMDTF-CJXXISATSA-N
XLogP4.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole?
The IUPAC name of (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole (CID 140920542) is (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole.
What is the SMILES notation for (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole?
The canonical SMILES for (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole is [2H]C([2H])([2H])c1ccccc1-c1cccc(N2C=CN(C([2H])([2H])[2H])[C@@H]2C)c1C.
What is the InChIKey of (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole?
The InChIKey is LBAUSIKXWZMDTF-CJXXISATSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-8-5-6-9-17(14)18-10-7-11-19(15(18)2)21-13-12-20(4)16(21)3/h5-13,16H,1-4H3/t16-/m0/s1/i1D3,4D3.
What are the key properties of (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole?
(2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole has a molecular weight of 284.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole is sourced from PubChem (CID 140920542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).