5-[(3-fluorophenyl)methyl]-1-methylimidazole

C11H11FN2 — CID 18709462

IUPAC5-[(3-fluorophenyl)methyl]-1-methylimidazole
SMILESCn1cncc1Cc1cccc(F)c1
InChIInChI=1S/C11H11FN2/c1-14-8-13-7-11(14)6-9-3-2-4-10(12)5-9/h2-5,7-8H,6H2,1H3
InChIKeyAXRRCFLIASGGIT-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.15
Rot. Bonds2

About 5-[(3-fluorophenyl)methyl]-1-methylimidazole

5-[(3-fluorophenyl)methyl]-1-methylimidazole (PubChem CID 18709462) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-1-methylimidazole
PubChem CID18709462
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name5-[(3-fluorophenyl)methyl]-1-methylimidazole
SMILESCn1cncc1Cc1cccc(F)c1
InChIInChI=1S/C11H11FN2/c1-14-8-13-7-11(14)6-9-3-2-4-10(12)5-9/h2-5,7-8H,6H2,1H3
InChIKeyAXRRCFLIASGGIT-UHFFFAOYSA-N
XLogP2.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methylimidazole?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methylimidazole (CID 18709462) is 5-[(3-fluorophenyl)methyl]-1-methylimidazole.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1-methylimidazole?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1-methylimidazole is Cn1cncc1Cc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1-methylimidazole?
The InChIKey is AXRRCFLIASGGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-14-8-13-7-11(14)6-9-3-2-4-10(12)5-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-1-methylimidazole?
5-[(3-fluorophenyl)methyl]-1-methylimidazole has a molecular weight of 190.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-1-methylimidazole is sourced from PubChem (CID 18709462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).