N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine

C10H16F3N3O — CID 106571613

IUPACN-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-8(7-17-2)15-9-14-4-6-16(9)5-3-10(11,12)13/h4,6,8H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyFHRXSWYSZGHGPL-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.28
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine (PubChem CID 106571613) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine
PubChem CID106571613
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-8(7-17-2)15-9-14-4-6-16(9)5-3-10(11,12)13/h4,6,8H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyFHRXSWYSZGHGPL-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine (CID 106571613) is N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine is COCC(C)Nc1nccn1CCC(F)(F)F.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine?
The InChIKey is FHRXSWYSZGHGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-8(7-17-2)15-9-14-4-6-16(9)5-3-10(11,12)13/h4,6,8H,3,5,7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine is sourced from PubChem (CID 106571613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).