2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid

C12H20N2O2 — CID 114987536

IUPAC2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid
SMILESCc1nccn1C(C)(CCC(C)C)C(=O)O
InChIInChI=1S/C12H20N2O2/c1-9(2)5-6-12(4,11(15)16)14-8-7-13-10(14)3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyUYGMBQIWOQOKOL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.43
Rot. Bonds5

About 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid

2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid (PubChem CID 114987536) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid
PubChem CID114987536
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid
SMILESCc1nccn1C(C)(CCC(C)C)C(=O)O
InChIInChI=1S/C12H20N2O2/c1-9(2)5-6-12(4,11(15)16)14-8-7-13-10(14)3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyUYGMBQIWOQOKOL-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylimidazol-1-yl)-2-propylpentanoic acid
CID 114987537
2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid
CID 154787909
2-(2-methylimidazol-1-yl)-2-phenylbutanoic acid
CID 114994251
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458
4-(2-methylimidazol-1-yl)pentanoic acid
CID 62214885
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
3-methyl-1-(2-methylimidazol-1-yl)butan-2-one
CID 79395102
2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid
CID 114990682
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
2,6-dimethyl-2-(4-pyrimidin-4-ylpyrazol-1-yl)heptanoic acid
CID 167848022

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid (CID 114987536) is 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid is Cc1nccn1C(C)(CCC(C)C)C(=O)O.
What is the InChIKey of 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid?
The InChIKey is UYGMBQIWOQOKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)5-6-12(4,11(15)16)14-8-7-13-10(14)3/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid?
2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid has a molecular weight of 224.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid is sourced from PubChem (CID 114987536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).