5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole

C13H16N2 — CID 171381974

IUPAC5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole
SMILESCc1ccc([C@@H](C)c2cnc[nH]2)c(C)c1
InChIInChI=1S/C13H16N2/c1-9-4-5-12(10(2)6-9)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyVZRZAXXUNVSFRS-LLVKDONJSA-N
MW200.28 g/mol
LogP3.18
Rot. Bonds2

About 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole

5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole (PubChem CID 171381974) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole
PubChem CID171381974
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole
SMILESCc1ccc([C@@H](C)c2cnc[nH]2)c(C)c1
InChIInChI=1S/C13H16N2/c1-9-4-5-12(10(2)6-9)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyVZRZAXXUNVSFRS-LLVKDONJSA-N
XLogP3.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole (CID 171381974) is 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole is Cc1ccc([C@@H](C)c2cnc[nH]2)c(C)c1.
What is the InChIKey of 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole?
The InChIKey is VZRZAXXUNVSFRS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-4-5-12(10(2)6-9)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole?
5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole has a molecular weight of 200.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 171381974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).