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

C11H13N3O — CID 106952692

IUPAC4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(Cc2ccccn2)NC1=O
InChIInChI=1S/C11H13N3O/c1-2-9-11(15)14-10(13-9)7-8-5-3-4-6-12-8/h3-6,9H,2,7H2,1H3,(H,13,14,15)
InChIKeyLARXPRAZHNKQQY-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.93
Rot. Bonds3

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

4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952692) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
PubChem CID106952692
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(Cc2ccccn2)NC1=O
InChIInChI=1S/C11H13N3O/c1-2-9-11(15)14-10(13-9)7-8-5-3-4-6-12-8/h3-6,9H,2,7H2,1H3,(H,13,14,15)
InChIKeyLARXPRAZHNKQQY-UHFFFAOYSA-N
XLogP0.93
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
CID 106953132
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
ethane;2-ethylpyridine;methane
CID 142439308
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
acetylene;2-ethylpyridine
CID 145358493
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
(3S)-7-bromo-3-ethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 7223110
5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one
CID 130595767
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one (CID 106952692) is 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one is CCC1N=C(Cc2ccccn2)NC1=O.
What is the InChIKey of 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is LARXPRAZHNKQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-9-11(15)14-10(13-9)7-8-5-3-4-6-12-8/h3-6,9H,2,7H2,1H3,(H,13,14,15).
What are the key properties of 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one?
4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 203.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).