1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol

C15H17F6N3O — CID 73319660

IUPAC1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol
SMILESCC(O)C1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F6N3O/c1-8(25)12-7-23-13(22)24(12)3-2-9-4-10(14(16,17)18)6-11(5-9)15(19,20)21/h4-6,8,12,25H,2-3,7H2,1H3,(H2,22,23)
InChIKeyJMZJFYUZEADBKF-UHFFFAOYSA-N
MW369.31 g/mol
LogP2.65
Rot. Bonds4

About 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol

1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol (PubChem CID 73319660) has the molecular formula C15H17F6N3O and a molecular weight of 369.31 g/mol. Its IUPAC name is 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol
PubChem CID73319660
Molecular FormulaC15H17F6N3O
Molecular Weight369.31 g/mol
Exact Mass369.13
IUPAC Name1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol
SMILESCC(O)C1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F6N3O/c1-8(25)12-7-23-13(22)24(12)3-2-9-4-10(14(16,17)18)6-11(5-9)15(19,20)21/h4-6,8,12,25H,2-3,7H2,1H3,(H2,22,23)
InChIKeyJMZJFYUZEADBKF-UHFFFAOYSA-N
XLogP2.65
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol?
The IUPAC name of 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol (CID 73319660) is 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol?
The canonical SMILES for 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol is CC(O)C1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol?
The InChIKey is JMZJFYUZEADBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F6N3O/c1-8(25)12-7-23-13(22)24(12)3-2-9-4-10(14(16,17)18)6-11(5-9)15(19,20)21/h4-6,8,12,25H,2-3,7H2,1H3,(H2,22,23).
What are the key properties of 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol?
1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol has a molecular weight of 369.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]ethanol is sourced from PubChem (CID 73319660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).