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

C8H14N2O — CID 70091245

IUPAC2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCCC1=NC(C(C)C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-4-6-9-7(5(2)3)8(11)10-6/h5,7H,4H2,1-3H3,(H,9,10,11)
InChIKeyKRUKDTIITYHPGT-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds2

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

2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 70091245) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID70091245
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCCC1=NC(C(C)C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-4-6-9-7(5(2)3)8(11)10-6/h5,7H,4H2,1-3H3,(H,9,10,11)
InChIKeyKRUKDTIITYHPGT-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 70091245) is 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one is CCC1=NC(C(C)C)C(=O)N1.
What is the InChIKey of 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is KRUKDTIITYHPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-6-9-7(5(2)3)8(11)10-6/h5,7H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 70091245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).