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

C9H9N3O — CID 106951809

IUPAC2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(Cc2ccncc2)N1
InChIInChI=1S/C9H9N3O/c13-9-6-11-8(12-9)5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,12,13)
InChIKeyJDNUPRGWDGAOKA-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.15
Rot. Bonds2

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

2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951809) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one
PubChem CID106951809
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(Cc2ccncc2)N1
InChIInChI=1S/C9H9N3O/c13-9-6-11-8(12-9)5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,12,13)
InChIKeyJDNUPRGWDGAOKA-UHFFFAOYSA-N
XLogP0.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one
CID 67285058
1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione
CID 19585587
3-(pyridin-4-ylmethyl)cyclohept-2-en-1-one
CID 107382825
6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83956057
3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964160
4-(1H-pyrazol-5-ylmethyl)pyridine
CID 57052578
4-[(4-iodophenyl)methyl]pyridine
CID 14743030
N-methyl-N-(pyridin-4-ylmethyl)azetidin-3-amine
CID 62786509
1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one
CID 10285923
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one (CID 106951809) is 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one is O=C1CN=C(Cc2ccncc2)N1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is JDNUPRGWDGAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-9-6-11-8(12-9)5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,12,13).
What are the key properties of 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one?
2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 175.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).