(2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole

C13H18N2 — CID 118084605

IUPAC(2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole
SMILES[2H]C([2H])(C)N1C=CN(c2ccccc2C)[C@@H]1C
InChIInChI=1S/C13H18N2/c1-4-14-9-10-15(12(14)3)13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3/t12-/m1/s1/i4D2
InChIKeyHYDXMVAQCMBNBV-VMQOTLKMSA-N
MW204.31 g/mol
LogP2.95
Rot. Bonds2

About (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole

(2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole (PubChem CID 118084605) has the molecular formula C13H18N2 and a molecular weight of 204.31 g/mol. Its IUPAC name is (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Name(2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole
PubChem CID118084605
Molecular FormulaC13H18N2
Molecular Weight204.31 g/mol
Exact Mass204.16
IUPAC Name(2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole
SMILES[2H]C([2H])(C)N1C=CN(c2ccccc2C)[C@@H]1C
InChIInChI=1S/C13H18N2/c1-4-14-9-10-15(12(14)3)13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3/t12-/m1/s1/i4D2
InChIKeyHYDXMVAQCMBNBV-VMQOTLKMSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The IUPAC name of (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole (CID 118084605) is (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole.
What is the SMILES notation for (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The canonical SMILES for (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole is [2H]C([2H])(C)N1C=CN(c2ccccc2C)[C@@H]1C.
What is the InChIKey of (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The InChIKey is HYDXMVAQCMBNBV-VMQOTLKMSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-14-9-10-15(12(14)3)13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3/t12-/m1/s1/i4D2.
What are the key properties of (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole?
(2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole has a molecular weight of 204.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole is sourced from PubChem (CID 118084605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).