5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one

C10H10N4O — CID 19350745

IUPAC5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one
SMILESCc1cn(/N=C/c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C10H10N4O/c1-8-7-14(10(15)13-8)12-6-9-3-2-4-11-5-9/h2-7H,1H3,(H,13,15)/b12-6+
InChIKeyNPSFYYVPBBPZPW-WUXMJOGZSA-N
MW202.22 g/mol
LogP0.76
Rot. Bonds2

About 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one

5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one (PubChem CID 19350745) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one
PubChem CID19350745
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one
SMILESCc1cn(/N=C/c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C10H10N4O/c1-8-7-14(10(15)13-8)12-6-9-3-2-4-11-5-9/h2-7H,1H3,(H,13,15)/b12-6+
InChIKeyNPSFYYVPBBPZPW-WUXMJOGZSA-N
XLogP0.76
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-3-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one;hydrochloride
CID 70341389
3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one
CID 54354310
6-methyl-4-[(Z)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 6035169
5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 165363549
6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one
CID 172942188
3-[(E)-pyridin-3-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one
CID 6881688
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
ethyl 5-[5-methyl-2-oxo-3-(pyridin-3-ylmethylideneamino)imidazol-1-yl]pentanoate
CID 70338013
8-methoxy-3-(pyridin-3-ylmethylideneamino)-5H-pyrimido[5,4-b]indol-4-one
CID 914353
7-methoxy-3-[(E)-pyridin-3-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one
CID 6889491
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6902460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one?
The IUPAC name of 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one (CID 19350745) is 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one.
What is the SMILES notation for 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one?
The canonical SMILES for 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one is Cc1cn(/N=C/c2cccnc2)c(=O)[nH]1.
What is the InChIKey of 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one?
The InChIKey is NPSFYYVPBBPZPW-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H10N4O/c1-8-7-14(10(15)13-8)12-6-9-3-2-4-11-5-9/h2-7H,1H3,(H,13,15)/b12-6+.
What are the key properties of 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one?
5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one has a molecular weight of 202.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one is sourced from PubChem (CID 19350745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).