1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one

C13H20FN3O2 — CID 157093693

IUPAC1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one
SMILESCNCc1cnc(C2CCOCC2)n1C(F)C(C)=O
InChIInChI=1S/C13H20FN3O2/c1-9(18)12(14)17-11(7-15-2)8-16-13(17)10-3-5-19-6-4-10/h8,10,12,15H,3-7H2,1-2H3
InChIKeyAZSRXYIDRGYKJB-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.55
Rot. Bonds5

About 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one

1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one (PubChem CID 157093693) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one
PubChem CID157093693
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one
SMILESCNCc1cnc(C2CCOCC2)n1C(F)C(C)=O
InChIInChI=1S/C13H20FN3O2/c1-9(18)12(14)17-11(7-15-2)8-16-13(17)10-3-5-19-6-4-10/h8,10,12,15H,3-7H2,1-2H3
InChIKeyAZSRXYIDRGYKJB-UHFFFAOYSA-N
XLogP1.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidine
CID 90488060
3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
N~4~-[2-(1-Isopropyl-5-methyl-1H-imidazol-2-YL)ethyl]tetrahydro-2H-pyran-4-carboxamide
CID 91923972
Ethyl 2-fluoro-2-[5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-(oxan-4-yl)imidazol-1-yl]acetate
CID 139558248
Ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate
CID 139558269
5-Fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139558292
Ethyl 2-[5-[[amino(methyl)amino]methyl]-2-(oxan-4-yl)imidazol-1-yl]-2-fluoroacetate
CID 139574366
tert-butyl N-[[3-(1-fluoro-2-oxopropyl)-2-(oxan-4-yl)imidazol-4-yl]methyl]-N-methylcarbamate
CID 157093694
N-[[4-(1,1-difluoroethyl)oxan-4-yl]methyl]-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 166308372
N-methyl-1-[2-(oxan-4-yl)-1H-imidazol-5-yl]methanamine
CID 65334254
(R)-(1-ethyl-4-methylimidazol-2-yl)-(oxan-4-yl)methanamine
CID 117672076

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one?
The IUPAC name of 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one (CID 157093693) is 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one.
What is the SMILES notation for 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one?
The canonical SMILES for 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one is CNCc1cnc(C2CCOCC2)n1C(F)C(C)=O.
What is the InChIKey of 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one?
The InChIKey is AZSRXYIDRGYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-9(18)12(14)17-11(7-15-2)8-16-13(17)10-3-5-19-6-4-10/h8,10,12,15H,3-7H2,1-2H3.
What are the key properties of 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one?
1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one has a molecular weight of 269.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]propan-2-one is sourced from PubChem (CID 157093693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).