2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole

C19H21FN2O — CID 11404183

IUPAC2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole
SMILESCC1(C)NC(COCc2cccc(F)c2)=NC1c1ccccc1
InChIInChI=1S/C19H21FN2O/c1-19(2)18(15-8-4-3-5-9-15)21-17(22-19)13-23-12-14-7-6-10-16(20)11-14/h3-11,18H,12-13H2,1-2H3,(H,21,22)
InChIKeyRWQNEUZRZCOUSG-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.86
Rot. Bonds5

About 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole

2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole (PubChem CID 11404183) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole
PubChem CID11404183
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole
SMILESCC1(C)NC(COCc2cccc(F)c2)=NC1c1ccccc1
InChIInChI=1S/C19H21FN2O/c1-19(2)18(15-8-4-3-5-9-15)21-17(22-19)13-23-12-14-7-6-10-16(20)11-14/h3-11,18H,12-13H2,1-2H3,(H,21,22)
InChIKeyRWQNEUZRZCOUSG-UHFFFAOYSA-N
XLogP3.86
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole?
The IUPAC name of 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole (CID 11404183) is 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole?
The canonical SMILES for 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole is CC1(C)NC(COCc2cccc(F)c2)=NC1c1ccccc1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole?
The InChIKey is RWQNEUZRZCOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-19(2)18(15-8-4-3-5-9-15)21-17(22-19)13-23-12-14-7-6-10-16(20)11-14/h3-11,18H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole?
2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole has a molecular weight of 312.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxymethyl]-5,5-dimethyl-4-phenyl-1,4-dihydroimidazole is sourced from PubChem (CID 11404183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).