1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine

C12H20F3N3O2 — CID 106573349

IUPAC1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCCOCC(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-9-6-18(10(2)7-19-3)11(17-9)16-4-5-20-8-12(13,14)15/h6,10H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyZGWWXYQCMIRQJP-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.39
Rot. Bonds8

About 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine

1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine (PubChem CID 106573349) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
PubChem CID106573349
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCCOCC(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-9-6-18(10(2)7-19-3)11(17-9)16-4-5-20-8-12(13,14)15/h6,10H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyZGWWXYQCMIRQJP-UHFFFAOYSA-N
XLogP2.39
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573359
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568458
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
N-(3,5-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106559723
N-(2-methoxyethyl)-4-methyl-1-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106569166
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583085
1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106575097

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine (CID 106573349) is 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine is COCC(C)n1cc(C)nc1NCCOCC(F)(F)F.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine?
The InChIKey is ZGWWXYQCMIRQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-9-6-18(10(2)7-19-3)11(17-9)16-4-5-20-8-12(13,14)15/h6,10H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine?
1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine has a molecular weight of 295.31 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine is sourced from PubChem (CID 106573349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).