ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate

C10H15F2N3O2 — CID 55024545

IUPACethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C10H15F2N3O2/c1-3-17-9(16)7-14(2)6-8-13-4-5-15(8)10(11)12/h4-5,10H,3,6-7H2,1-2H3
InChIKeyDSRHECGDGAACFJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.27
Rot. Bonds6

About ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate

ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate (PubChem CID 55024545) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
PubChem CID55024545
Molecular FormulaC10H15F2N3O2
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Nameethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C10H15F2N3O2/c1-3-17-9(16)7-14(2)6-8-13-4-5-15(8)10(11)12/h4-5,10H,3,6-7H2,1-2H3
InChIKeyDSRHECGDGAACFJ-UHFFFAOYSA-N
XLogP1.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 87013837
2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide
CID 87013866
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
ethyl 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-oxobutanoate
CID 63896476
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60500196
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]ethanone
CID 60500161
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
N-(5-chloro-2-fluorophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 71986610
ethyl 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazole-4-carboxylate
CID 103104810
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 60500430
ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
CID 11197077
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate (CID 55024545) is ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate is CCOC(=O)CN(C)Cc1nccn1C(F)F.
What is the InChIKey of ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate?
The InChIKey is DSRHECGDGAACFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-3-17-9(16)7-14(2)6-8-13-4-5-15(8)10(11)12/h4-5,10H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate?
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate has a molecular weight of 247.25 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate is sourced from PubChem (CID 55024545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).