methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate

C12H10F2N2O2 — CID 82561230

IUPACmethyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O2/c1-18-11(17)7-16-5-4-15-12(16)8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3
InChIKeyGFXXSDZHENWJBV-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate

methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate (PubChem CID 82561230) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate
PubChem CID82561230
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Namemethyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O2/c1-18-11(17)7-16-5-4-15-12(16)8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3
InChIKeyGFXXSDZHENWJBV-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
methyl 3-[[2-(3,4-difluorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561233
methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
CID 82561325
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate
CID 56865415
methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
CID 82561148
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
CID 82561099
methyl 4-[(3,4-difluorophenyl)methyl]-3-oxopyrazine-2-carboxylate
CID 58443085
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde
CID 63974565

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate (CID 82561230) is methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate is COC(=O)Cn1ccnc1-c1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate?
The InChIKey is GFXXSDZHENWJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-18-11(17)7-16-5-4-15-12(16)8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3.
What are the key properties of methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate?
methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate has a molecular weight of 252.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate is sourced from PubChem (CID 82561230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).