2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one

C12H15N3O — CID 106952926

IUPAC2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(c2cccc(C)n2)NC1=O
InChIInChI=1S/C12H15N3O/c1-3-5-10-12(16)15-11(14-10)9-7-4-6-8(2)13-9/h4,6-7,10H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyXVSSTRXMCJOVNL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.44
Rot. Bonds3

About 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one

2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one (PubChem CID 106952926) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one
PubChem CID106952926
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(c2cccc(C)n2)NC1=O
InChIInChI=1S/C12H15N3O/c1-3-5-10-12(16)15-11(14-10)9-7-4-6-8(2)13-9/h4,6-7,10H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyXVSSTRXMCJOVNL-UHFFFAOYSA-N
XLogP1.44
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one (CID 106952926) is 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one is CCCC1N=C(c2cccc(C)n2)NC1=O.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one?
The InChIKey is XVSSTRXMCJOVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-5-10-12(16)15-11(14-10)9-7-4-6-8(2)13-9/h4,6-7,10H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one?
2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).