2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole

C11H22N2 — CID 129075231

IUPAC2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole
SMILESCC(C)C1=CN(C(C)C)C(C)N1C
InChIInChI=1S/C11H22N2/c1-8(2)11-7-13(9(3)4)10(5)12(11)6/h7-10H,1-6H3
InChIKeyKBVUSIZDWHBLLJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.49
Rot. Bonds2

About 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole

2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole (PubChem CID 129075231) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole
PubChem CID129075231
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole
SMILESCC(C)C1=CN(C(C)C)C(C)N1C
InChIInChI=1S/C11H22N2/c1-8(2)11-7-13(9(3)4)10(5)12(11)6/h7-10H,1-6H3
InChIKeyKBVUSIZDWHBLLJ-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-1,4-di(propan-2-yl)-2H-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 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole (CID 129075231) is 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole is CC(C)C1=CN(C(C)C)C(C)N1C.
What is the InChIKey of 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole?
The InChIKey is KBVUSIZDWHBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)11-7-13(9(3)4)10(5)12(11)6/h7-10H,1-6H3.
What are the key properties of 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole?
2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 129075231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).