2-propan-2-yl-1,4-dihydroimidazol-5-one

C6H10N2O — CID 22898625

IUPAC2-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1=NCC(=O)N1
InChIInChI=1S/C6H10N2O/c1-4(2)6-7-3-5(9)8-6/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyDMWUEBGBXDOHMY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.17
Rot. Bonds1

About 2-propan-2-yl-1,4-dihydroimidazol-5-one

2-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 22898625) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID22898625
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1=NCC(=O)N1
InChIInChI=1S/C6H10N2O/c1-4(2)6-7-3-5(9)8-6/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyDMWUEBGBXDOHMY-UHFFFAOYSA-N
XLogP0.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-propan-2-yl-1,4-dihydroimidazol-5-one (CID 22898625) is 2-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-propan-2-yl-1,4-dihydroimidazol-5-one is CC(C)C1=NCC(=O)N1.
What is the InChIKey of 2-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is DMWUEBGBXDOHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(2)6-7-3-5(9)8-6/h4H,3H2,1-2H3,(H,7,8,9).
What are the key properties of 2-propan-2-yl-1,4-dihydroimidazol-5-one?
2-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 126.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 22898625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).