4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one

C9H16N2O — CID 123627716

IUPAC4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one
SMILESCn1c(CC(C)(C)C)c[nH]c1=O
InChIInChI=1S/C9H16N2O/c1-9(2,3)5-7-6-10-8(12)11(7)4/h6H,5H2,1-4H3,(H,10,12)
InChIKeyJLKDPDMJKXBZOY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.30
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one

4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one (PubChem CID 123627716) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one
PubChem CID123627716
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one
SMILESCn1c(CC(C)(C)C)c[nH]c1=O
InChIInChI=1S/C9H16N2O/c1-9(2,3)5-7-6-10-8(12)11(7)4/h6H,5H2,1-4H3,(H,10,12)
InChIKeyJLKDPDMJKXBZOY-UHFFFAOYSA-N
XLogP1.30
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one (CID 123627716) is 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one is Cn1c(CC(C)(C)C)c[nH]c1=O.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one?
The InChIKey is JLKDPDMJKXBZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,3)5-7-6-10-8(12)11(7)4/h6H,5H2,1-4H3,(H,10,12).
What are the key properties of 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one?
4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 123627716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).