2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one

C12H22N2O2 — CID 106953348

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one
SMILESCCOC(C1=NC(C)(C)C(=O)N1)C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-7-16-8(11(2,3)4)9-13-10(15)12(5,6)14-9/h8H,7H2,1-6H3,(H,13,14,15)
InChIKeyQHTZGTPNDPZGDI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.74
Rot. Bonds3

About 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one

2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 106953348) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one
PubChem CID106953348
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one
SMILESCCOC(C1=NC(C)(C)C(=O)N1)C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-7-16-8(11(2,3)4)9-13-10(15)12(5,6)14-9/h8H,7H2,1-6H3,(H,13,14,15)
InChIKeyQHTZGTPNDPZGDI-UHFFFAOYSA-N
XLogP1.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one (CID 106953348) is 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one is CCOC(C1=NC(C)(C)C(=O)N1)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is QHTZGTPNDPZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7-16-8(11(2,3)4)9-13-10(15)12(5,6)14-9/h8H,7H2,1-6H3,(H,13,14,15).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one?
2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 226.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 106953348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).