2,2-dimethyl-4-propan-2-ylimidazole

C8H14N2 — CID 5325306

IUPAC2,2-dimethyl-4-propan-2-ylimidazole
SMILESCC(C)C1=NC(C)(C)N=C1
InChIInChI=1S/C8H14N2/c1-6(2)7-5-9-8(3,4)10-7/h5-6H,1-4H3
InChIKeyBCIPYSMOUDXFQR-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.90
Rot. Bonds1

About 2,2-dimethyl-4-propan-2-ylimidazole

2,2-dimethyl-4-propan-2-ylimidazole (PubChem CID 5325306) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-ylimidazole
PubChem CID5325306
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,2-dimethyl-4-propan-2-ylimidazole
SMILESCC(C)C1=NC(C)(C)N=C1
InChIInChI=1S/C8H14N2/c1-6(2)7-5-9-8(3,4)10-7/h5-6H,1-4H3
InChIKeyBCIPYSMOUDXFQR-UHFFFAOYSA-N
XLogP1.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-propan-2-ylimidazole 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 2,2-dimethyl-4-propan-2-ylimidazole?
The IUPAC name of 2,2-dimethyl-4-propan-2-ylimidazole (CID 5325306) is 2,2-dimethyl-4-propan-2-ylimidazole.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-ylimidazole?
The canonical SMILES for 2,2-dimethyl-4-propan-2-ylimidazole is CC(C)C1=NC(C)(C)N=C1.
What is the InChIKey of 2,2-dimethyl-4-propan-2-ylimidazole?
The InChIKey is BCIPYSMOUDXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)7-5-9-8(3,4)10-7/h5-6H,1-4H3.
What are the key properties of 2,2-dimethyl-4-propan-2-ylimidazole?
2,2-dimethyl-4-propan-2-ylimidazole has a molecular weight of 138.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-ylimidazole is sourced from PubChem (CID 5325306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).