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

C11H13N3O — CID 106953112

IUPAC4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ccccn2)NC1=O
InChIInChI=1S/C11H13N3O/c1-7(2)9-11(15)14-10(13-9)8-5-3-4-6-12-8/h3-7,9H,1-2H3,(H,13,14,15)
InChIKeyWMVGRSDYIVKDMS-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.98
Rot. Bonds2

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

4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953112) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953112
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ccccn2)NC1=O
InChIInChI=1S/C11H13N3O/c1-7(2)9-11(15)14-10(13-9)8-5-3-4-6-12-8/h3-7,9H,1-2H3,(H,13,14,15)
InChIKeyWMVGRSDYIVKDMS-UHFFFAOYSA-N
XLogP0.98
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one (CID 106953112) is 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one is CC(C)C1N=C(c2ccccn2)NC1=O.
What is the InChIKey of 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is WMVGRSDYIVKDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)9-11(15)14-10(13-9)8-5-3-4-6-12-8/h3-7,9H,1-2H3,(H,13,14,15).
What are the key properties of 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one?
4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 203.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).