1-(3-fluoro-4-methylphenyl)imidazole

C10H9FN2 — CID 18758587

IUPAC1-(3-fluoro-4-methylphenyl)imidazole
SMILESCc1ccc(-n2ccnc2)cc1F
InChIInChI=1S/C10H9FN2/c1-8-2-3-9(6-10(8)11)13-5-4-12-7-13/h2-7H,1H3
InChIKeyRDKMRIMUBYDVPV-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.32
Rot. Bonds1

About 1-(3-fluoro-4-methylphenyl)imidazole

1-(3-fluoro-4-methylphenyl)imidazole (PubChem CID 18758587) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)imidazole
PubChem CID18758587
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name1-(3-fluoro-4-methylphenyl)imidazole
SMILESCc1ccc(-n2ccnc2)cc1F
InChIInChI=1S/C10H9FN2/c1-8-2-3-9(6-10(8)11)13-5-4-12-7-13/h2-7H,1H3
InChIKeyRDKMRIMUBYDVPV-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)imidazole?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)imidazole (CID 18758587) is 1-(3-fluoro-4-methylphenyl)imidazole.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)imidazole?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)imidazole is Cc1ccc(-n2ccnc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)imidazole?
The InChIKey is RDKMRIMUBYDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-8-2-3-9(6-10(8)11)13-5-4-12-7-13/h2-7H,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)imidazole?
1-(3-fluoro-4-methylphenyl)imidazole has a molecular weight of 176.19 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)imidazole is sourced from PubChem (CID 18758587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).