3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole

C10H11FN2 — CID 175147591

IUPAC3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole
SMILESFc1ccc(CN2C=CNC2)cc1
InChIInChI=1S/C10H11FN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,12H,7-8H2
InChIKeyUYLCFFGBIBDXOZ-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.66
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole

3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole (PubChem CID 175147591) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole
PubChem CID175147591
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole
SMILESFc1ccc(CN2C=CNC2)cc1
InChIInChI=1S/C10H11FN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,12H,7-8H2
InChIKeyUYLCFFGBIBDXOZ-UHFFFAOYSA-N
XLogP1.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole (CID 175147591) is 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole is Fc1ccc(CN2C=CNC2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole?
The InChIKey is UYLCFFGBIBDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,12H,7-8H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole?
3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole has a molecular weight of 178.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole is sourced from PubChem (CID 175147591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).