2-(3-fluoro-2-methylphenyl)-1H-imidazole

C10H9FN2 — CID 55254600

IUPAC2-(3-fluoro-2-methylphenyl)-1H-imidazole
SMILESCc1c(F)cccc1-c1ncc[nH]1
InChIInChI=1S/C10H9FN2/c1-7-8(3-2-4-9(7)11)10-12-5-6-13-10/h2-6H,1H3,(H,12,13)
InChIKeyVTDHCGRTXSBEHE-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.52
Rot. Bonds1

About 2-(3-fluoro-2-methylphenyl)-1H-imidazole

2-(3-fluoro-2-methylphenyl)-1H-imidazole (PubChem CID 55254600) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenyl)-1H-imidazole
PubChem CID55254600
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-(3-fluoro-2-methylphenyl)-1H-imidazole
SMILESCc1c(F)cccc1-c1ncc[nH]1
InChIInChI=1S/C10H9FN2/c1-7-8(3-2-4-9(7)11)10-12-5-6-13-10/h2-6H,1H3,(H,12,13)
InChIKeyVTDHCGRTXSBEHE-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenyl)-1H-imidazole?
The IUPAC name of 2-(3-fluoro-2-methylphenyl)-1H-imidazole (CID 55254600) is 2-(3-fluoro-2-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(3-fluoro-2-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-(3-fluoro-2-methylphenyl)-1H-imidazole is Cc1c(F)cccc1-c1ncc[nH]1.
What is the InChIKey of 2-(3-fluoro-2-methylphenyl)-1H-imidazole?
The InChIKey is VTDHCGRTXSBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-7-8(3-2-4-9(7)11)10-12-5-6-13-10/h2-6H,1H3,(H,12,13).
What are the key properties of 2-(3-fluoro-2-methylphenyl)-1H-imidazole?
2-(3-fluoro-2-methylphenyl)-1H-imidazole has a molecular weight of 176.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylphenyl)-1H-imidazole is sourced from PubChem (CID 55254600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).