N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine

C11H19F2N3O2 — CID 103150872

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(CCOCC(F)F)[nH]1
InChIInChI=1S/C11H19F2N3O2/c1-17-5-3-14-6-9-7-15-11(16-9)2-4-18-8-10(12)13/h7,10,14H,2-6,8H2,1H3,(H,15,16)
InChIKeyCKFOWBGUIOZMRJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.97
Rot. Bonds10

About N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 103150872) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID103150872
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(CCOCC(F)F)[nH]1
InChIInChI=1S/C11H19F2N3O2/c1-17-5-3-14-6-9-7-15-11(16-9)2-4-18-8-10(12)13/h7,10,14H,2-6,8H2,1H3,(H,15,16)
InChIKeyCKFOWBGUIOZMRJ-UHFFFAOYSA-N
XLogP0.97
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine (CID 103150872) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(CCOCC(F)F)[nH]1.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is CKFOWBGUIOZMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-17-5-3-14-6-9-7-15-11(16-9)2-4-18-8-10(12)13/h7,10,14H,2-6,8H2,1H3,(H,15,16).
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 263.29 g/mol, XLogP of 0.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103150872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).