5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole

C13H16N2 — CID 163518861

IUPAC5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole
SMILESCCc1ncc(-c2cc(C)ccc2C)[nH]1
InChIInChI=1S/C13H16N2/c1-4-13-14-8-12(15-13)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyDJBIILSKCWUYLW-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.26
Rot. Bonds2

About 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole

5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole (PubChem CID 163518861) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole
PubChem CID163518861
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole
SMILESCCc1ncc(-c2cc(C)ccc2C)[nH]1
InChIInChI=1S/C13H16N2/c1-4-13-14-8-12(15-13)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyDJBIILSKCWUYLW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole?
The IUPAC name of 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole (CID 163518861) is 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole?
The canonical SMILES for 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole is CCc1ncc(-c2cc(C)ccc2C)[nH]1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole?
The InChIKey is DJBIILSKCWUYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-13-14-8-12(15-13)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole?
5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole has a molecular weight of 200.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole is sourced from PubChem (CID 163518861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).