4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one

C8H14N2O — CID 14896913

IUPAC4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C(C)C)c1C
InChIInChI=1S/C8H14N2O/c1-5(2)10-7(4)6(3)9-8(10)11/h5H,1-4H3,(H,9,11)
InChIKeyVSLJSZIYCKQIEO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.37
Rot. Bonds1

About 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one

4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one (PubChem CID 14896913) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one
PubChem CID14896913
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C(C)C)c1C
InChIInChI=1S/C8H14N2O/c1-5(2)10-7(4)6(3)9-8(10)11/h5H,1-4H3,(H,9,11)
InChIKeyVSLJSZIYCKQIEO-UHFFFAOYSA-N
XLogP1.37
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one (CID 14896913) is 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one is Cc1[nH]c(=O)n(C(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one?
The InChIKey is VSLJSZIYCKQIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)10-7(4)6(3)9-8(10)11/h5H,1-4H3,(H,9,11).
What are the key properties of 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one?
4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 14896913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).