3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one

C10H9IN2O — CID 130498049

IUPAC3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one
SMILESCc1ccc(-n2cc[nH]c2=O)cc1I
InChIInChI=1S/C10H9IN2O/c1-7-2-3-8(6-9(7)11)13-5-4-12-10(13)14/h2-6H,1H3,(H,12,14)
InChIKeyANWRJOSEFCGSHI-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.08
Rot. Bonds1

About 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one

3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one (PubChem CID 130498049) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one
PubChem CID130498049
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one
SMILESCc1ccc(-n2cc[nH]c2=O)cc1I
InChIInChI=1S/C10H9IN2O/c1-7-2-3-8(6-9(7)11)13-5-4-12-10(13)14/h2-6H,1H3,(H,12,14)
InChIKeyANWRJOSEFCGSHI-UHFFFAOYSA-N
XLogP2.08
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-1H-imidazol-2-one
CID 14927424
3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one
CID 107575239
3-[4-(methylamino)phenyl]-1H-imidazol-2-one
CID 63089666
3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one
CID 103124142
3-(4-bromo-3-fluorophenyl)-1H-imidazol-2-one
CID 103124099
3-(4-methylsulfonylphenyl)-1H-imidazol-2-one
CID 103125149
3-(3,5-difluorophenyl)-1H-imidazol-2-one
CID 112708439
1-(3-iodo-4-methylphenyl)piperidin-4-one
CID 130498128
3-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]-1H-imidazol-2-one
CID 107354292
3-[4-[2-(tert-butylamino)ethylamino]phenyl]-1H-imidazol-2-one
CID 107445375
methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
CID 167833277

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one (CID 130498049) is 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one is Cc1ccc(-n2cc[nH]c2=O)cc1I.
What is the InChIKey of 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one?
The InChIKey is ANWRJOSEFCGSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c1-7-2-3-8(6-9(7)11)13-5-4-12-10(13)14/h2-6H,1H3,(H,12,14).
What are the key properties of 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one?
3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one has a molecular weight of 300.10 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 130498049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).