2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole

C10H11FN2 — CID 144782339

IUPAC2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole
SMILESCc1ccccc1N1C=CNC1F
InChIInChI=1S/C10H11FN2/c1-8-4-2-3-5-9(8)13-7-6-12-10(13)11/h2-7,10,12H,1H3
InChIKeyHQWMSIKJFXCWJF-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.13
Rot. Bonds1

About 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole

2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole (PubChem CID 144782339) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole
PubChem CID144782339
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole
SMILESCc1ccccc1N1C=CNC1F
InChIInChI=1S/C10H11FN2/c1-8-4-2-3-5-9(8)13-7-6-12-10(13)11/h2-7,10,12H,1H3
InChIKeyHQWMSIKJFXCWJF-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylphenyl)-2-phenyl-1,2-dihydroimidazole
CID 59621836
CID 135029699
CID 135029699
(2R)-1-hydroxy-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 138656618
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole
CID 166737224
(3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole
CID 118314582
2-methyl-1-(2-methylphenyl)-3-propyl-2H-imidazole
CID 143732655
(2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 118084605
2-[2-methyl-3-(2-methylphenyl)-2H-benzimidazol-1-yl]aniline
CID 123952526
(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
CID 27311881
(2S)-1,2-dimethyl-3-(2-methylphenyl)imidazolidine
CID 121449628
1-(2-methylphenyl)diazetidine;hydrate
CID 142118290

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole?
The IUPAC name of 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole (CID 144782339) is 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole.
What is the SMILES notation for 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole?
The canonical SMILES for 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole is Cc1ccccc1N1C=CNC1F.
What is the InChIKey of 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole?
The InChIKey is HQWMSIKJFXCWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-8-4-2-3-5-9(8)13-7-6-12-10(13)11/h2-7,10,12H,1H3.
What are the key properties of 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole?
2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole has a molecular weight of 178.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methylphenyl)-1,2-dihydroimidazole is sourced from PubChem (CID 144782339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).