methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate

C18H14F2N2O2 — CID 54438342

IUPACmethyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate
SMILESCOC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ncc[nH]1
InChIInChI=1S/C18H14F2N2O2/c1-24-17(23)18(16-21-10-11-22-16,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-11H,1H3,(H,21,22)
InChIKeyWMHPZAWGENFCAS-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.20
Rot. Bonds4

About methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate

methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate (PubChem CID 54438342) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate
PubChem CID54438342
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Namemethyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate
SMILESCOC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ncc[nH]1
InChIInChI=1S/C18H14F2N2O2/c1-24-17(23)18(16-21-10-11-22-16,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-11H,1H3,(H,21,22)
InChIKeyWMHPZAWGENFCAS-UHFFFAOYSA-N
XLogP3.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanoate
CID 44308731
methyl 2-[4-[2-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]ethyl]phenyl]-2-methylpropanoate
CID 155519753
ethyl 1-(1H-imidazol-2-ylmethyl)-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 26402300
ethyl 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 28230484
3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
CID 59232671
methyl 4-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]-(1H-imidazol-2-yl)methyl]benzoate
CID 67620149
2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 69403938
methyl 2-(2,4-difluorophenyl)-4-[3-(1H-imidazol-2-yl)prop-1-enyl]benzoate
CID 70209238
methyl 2-[2-(4-fluorophenyl)ethyl]-5-[3-(1H-imidazol-2-yl)prop-1-enyl]benzoate
CID 70210594
methyl 3-[2-(4-fluorophenyl)-4-(1H-imidazol-2-yl)but-2-enyl]benzoate
CID 70300722
methyl 2-[2-(4-fluorophenyl)ethyl]-5-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoate
CID 70302885
3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid
CID 70302947

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate?
The IUPAC name of methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate (CID 54438342) is methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate.
What is the SMILES notation for methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate?
The canonical SMILES for methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate is COC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ncc[nH]1.
What is the InChIKey of methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate?
The InChIKey is WMHPZAWGENFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-24-17(23)18(16-21-10-11-22-16,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-11H,1H3,(H,21,22).
What are the key properties of methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate?
methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate has a molecular weight of 328.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(4-fluorophenyl)-2-(1H-imidazol-2-yl)acetate is sourced from PubChem (CID 54438342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).