1-[(3-fluorophenyl)methyl]imidazole

C10H9FN2 — CID 19902087

IUPAC1-[(3-fluorophenyl)methyl]imidazole
SMILESFc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C10H9FN2/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2
InChIKeyCJNXVRZKOSWWND-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.07
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]imidazole

1-[(3-fluorophenyl)methyl]imidazole (PubChem CID 19902087) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]imidazole
PubChem CID19902087
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name1-[(3-fluorophenyl)methyl]imidazole
SMILESFc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C10H9FN2/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2
InChIKeyCJNXVRZKOSWWND-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]imidazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]imidazole (CID 19902087) is 1-[(3-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]imidazole is Fc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]imidazole?
The InChIKey is CJNXVRZKOSWWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]imidazole?
1-[(3-fluorophenyl)methyl]imidazole has a molecular weight of 176.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 19902087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).