1-(3-fluorophenyl)imidazole

C9H7FN2 — CID 2737472

IUPAC1-(3-fluorophenyl)imidazole
SMILESFc1cccc(-n2ccnc2)c1
InChIInChI=1S/C9H7FN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H
InChIKeySQJDRLQZCRNMQU-UHFFFAOYSA-N
MW162.17 g/mol
LogP2.01
Rot. Bonds1

About 1-(3-fluorophenyl)imidazole

1-(3-fluorophenyl)imidazole (PubChem CID 2737472) has the molecular formula C9H7FN2 and a molecular weight of 162.17 g/mol. Its IUPAC name is 1-(3-fluorophenyl)imidazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)imidazole
PubChem CID2737472
Molecular FormulaC9H7FN2
Molecular Weight162.17 g/mol
Exact Mass162.06
IUPAC Name1-(3-fluorophenyl)imidazole
SMILESFc1cccc(-n2ccnc2)c1
InChIInChI=1S/C9H7FN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H
InChIKeySQJDRLQZCRNMQU-UHFFFAOYSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)imidazole?
The IUPAC name of 1-(3-fluorophenyl)imidazole (CID 2737472) is 1-(3-fluorophenyl)imidazole.
What is the SMILES notation for 1-(3-fluorophenyl)imidazole?
The canonical SMILES for 1-(3-fluorophenyl)imidazole is Fc1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-fluorophenyl)imidazole?
The InChIKey is SQJDRLQZCRNMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H.
What are the key properties of 1-(3-fluorophenyl)imidazole?
1-(3-fluorophenyl)imidazole has a molecular weight of 162.17 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)imidazole is sourced from PubChem (CID 2737472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).