N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide

C10H15F2N3O2 — CID 71883562

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCc1nccn1C(F)F
InChIInChI=1S/C10H15F2N3O2/c1-2-5-17-7-9(16)14-6-8-13-3-4-15(8)10(11)12/h3-4,10H,2,5-7H2,1H3,(H,14,16)
InChIKeyJFEBIXACIDCXLR-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.32
Rot. Bonds7

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide (PubChem CID 71883562) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide
PubChem CID71883562
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCc1nccn1C(F)F
InChIInChI=1S/C10H15F2N3O2/c1-2-5-17-7-9(16)14-6-8-13-3-4-15(8)10(11)12/h3-4,10H,2,5-7H2,1H3,(H,14,16)
InChIKeyJFEBIXACIDCXLR-UHFFFAOYSA-N
XLogP1.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53620398
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 72044143
Acetamide, N-(3-imidazol-1-ylpropyl)-2-methoxy-
CID 3148030
1-(2-methoxyethyl)-3-(2-(2-methyl-1H-imidazol-1-yl)ethyl)urea
CID 49670915
1-(1H-Imidazol-1-yl)-2-methoxyethan-1-one
CID 12883809
2-ethoxy-1-(1H-imidazol-1-yl)ethan-1-one
CID 58939128
2-ethoxy-N-(3-imidazolylpropyl)acetamide
CID 4122977
N1-(2-(2-methyl-1H-imidazol-1-yl)ethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49756144
1-(1H-imidazol-2-ylmethyl)-4-(methoxyacetyl)-1,4-diazepane
CID 50952666
N-(2-imidazol-1-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 53522877
2,2-difluoro-N-(2-{4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
CID 56739423
3-(2-Methoxyethyl)-1-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]urea
CID 72022858

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide (CID 71883562) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide is CCCOCC(=O)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide?
The InChIKey is JFEBIXACIDCXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-2-5-17-7-9(16)14-6-8-13-3-4-15(8)10(11)12/h3-4,10H,2,5-7H2,1H3,(H,14,16).
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide has a molecular weight of 247.24 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide is sourced from PubChem (CID 71883562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).