3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one

C11H12N4O — CID 54354310

IUPAC3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one
SMILESCc1c(N=Cc2cccnc2)[nH]c(=O)n1C
InChIInChI=1S/C11H12N4O/c1-8-10(14-11(16)15(8)2)13-7-9-4-3-5-12-6-9/h3-7H,1-2H3,(H,14,16)
InChIKeyUIAHZZTXFVQMOY-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.17
Rot. Bonds2

About 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one

3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one (PubChem CID 54354310) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one.

Molecular Properties

Compound Name3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one
PubChem CID54354310
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one
SMILESCc1c(N=Cc2cccnc2)[nH]c(=O)n1C
InChIInChI=1S/C11H12N4O/c1-8-10(14-11(16)15(8)2)13-7-9-4-3-5-12-6-9/h3-7H,1-2H3,(H,14,16)
InChIKeyUIAHZZTXFVQMOY-UHFFFAOYSA-N
XLogP1.17
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-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

5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one
CID 19350745
5-tert-butyl-3-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one;hydrochloride
CID 70341389
6-methyl-4-[(Z)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 6035169
N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine
CID 1048779
5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 165363549
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
N-(3-bromo-4-methylphenyl)-1-pyridin-3-ylmethanimine
CID 727413
6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one
CID 172942188
N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine
CID 611302
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine
CID 749135
(2Z)-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135529664

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one?
The IUPAC name of 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one (CID 54354310) is 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one.
What is the SMILES notation for 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one?
The canonical SMILES for 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one is Cc1c(N=Cc2cccnc2)[nH]c(=O)n1C.
What is the InChIKey of 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one?
The InChIKey is UIAHZZTXFVQMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-10(14-11(16)15(8)2)13-7-9-4-3-5-12-6-9/h3-7H,1-2H3,(H,14,16).
What are the key properties of 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one?
3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one is sourced from PubChem (CID 54354310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).