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

C10H16F3N3O — CID 106571614

IUPAC1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-8(7-17-2)16-6-5-15-9(16)14-4-3-10(11,12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyRABDHVWGSWCGED-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.45
Rot. Bonds6

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

1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine (PubChem CID 106571614) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine
PubChem CID106571614
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-8(7-17-2)16-6-5-15-9(16)14-4-3-10(11,12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyRABDHVWGSWCGED-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine (CID 106571614) is 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine is COCC(C)n1ccnc1NCCC(F)(F)F.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine?
The InChIKey is RABDHVWGSWCGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-8(7-17-2)16-6-5-15-9(16)14-4-3-10(11,12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine?
1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine is sourced from PubChem (CID 106571614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).