4,4-dimethyl-2-propyl-1H-imidazol-5-one

C8H14N2O — CID 19933477

IUPAC4,4-dimethyl-2-propyl-1H-imidazol-5-one
SMILESCCCC1=NC(C)(C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-4-5-6-9-7(11)8(2,3)10-6/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyCGCWFGVQPJHGJM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.09
Rot. Bonds2

About 4,4-dimethyl-2-propyl-1H-imidazol-5-one

4,4-dimethyl-2-propyl-1H-imidazol-5-one (PubChem CID 19933477) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4,4-dimethyl-2-propyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-propyl-1H-imidazol-5-one
PubChem CID19933477
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4,4-dimethyl-2-propyl-1H-imidazol-5-one
SMILESCCCC1=NC(C)(C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-4-5-6-9-7(11)8(2,3)10-6/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyCGCWFGVQPJHGJM-UHFFFAOYSA-N
XLogP1.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-propyl-1H-imidazol-5-one?
The IUPAC name of 4,4-dimethyl-2-propyl-1H-imidazol-5-one (CID 19933477) is 4,4-dimethyl-2-propyl-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-propyl-1H-imidazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-propyl-1H-imidazol-5-one is CCCC1=NC(C)(C)C(=O)N1.
What is the InChIKey of 4,4-dimethyl-2-propyl-1H-imidazol-5-one?
The InChIKey is CGCWFGVQPJHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-5-6-9-7(11)8(2,3)10-6/h4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 4,4-dimethyl-2-propyl-1H-imidazol-5-one?
4,4-dimethyl-2-propyl-1H-imidazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propyl-1H-imidazol-5-one is sourced from PubChem (CID 19933477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).