4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one

C12H15N3O — CID 106953132

IUPAC4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(Cc2ccccn2)NC1=O
InChIInChI=1S/C12H15N3O/c1-8(2)11-12(16)15-10(14-11)7-9-5-3-4-6-13-9/h3-6,8,11H,7H2,1-2H3,(H,14,15,16)
InChIKeyFYIUVCNDTSXIQH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.18
Rot. Bonds3

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

4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106953132) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
PubChem CID106953132
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(Cc2ccccn2)NC1=O
InChIInChI=1S/C12H15N3O/c1-8(2)11-12(16)15-10(14-11)7-9-5-3-4-6-13-9/h3-6,8,11H,7H2,1-2H3,(H,14,15,16)
InChIKeyFYIUVCNDTSXIQH-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
CID 106952692
4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
CID 106953112
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride
CID 70012457
4-propan-2-yl-2-quinoxalin-6-yl-1,4-dihydroimidazol-5-one
CID 106953118
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305
3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116586998
2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
CID 174659940
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one
CID 176750440
5-methyl-6-pyridin-2-ylhexanoic acid
CID 58070898

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one (CID 106953132) is 4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one is CC(C)C1N=C(Cc2ccccn2)NC1=O.
What is the InChIKey of 4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is FYIUVCNDTSXIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)11-12(16)15-10(14-11)7-9-5-3-4-6-13-9/h3-6,8,11H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one?
4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.18, 3 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-ylmethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).