(5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine

C20H19F6N3 — CID 16682573

IUPAC(5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6N3/c21-19(22,23)15-8-14(9-16(11-15)20(24,25)26)6-7-29-17(12-28-18(29)27)10-13-4-2-1-3-5-13/h1-5,8-9,11,17H,6-7,10,12H2,(H2,27,28)/t17-/m0/s1
InChIKeyGZHIEIMWGIISKF-KRWDZBQOSA-N
MW415.38 g/mol
LogP4.51
Rot. Bonds5

About (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 16682573) has the molecular formula C20H19F6N3 and a molecular weight of 415.38 g/mol. Its IUPAC name is (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID16682573
Molecular FormulaC20H19F6N3
Molecular Weight415.38 g/mol
Exact Mass415.15
IUPAC Name(5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6N3/c21-19(22,23)15-8-14(9-16(11-15)20(24,25)26)6-7-29-17(12-28-18(29)27)10-13-4-2-1-3-5-13/h1-5,8-9,11,17H,6-7,10,12H2,(H2,27,28)/t17-/m0/s1
InChIKeyGZHIEIMWGIISKF-KRWDZBQOSA-N
XLogP4.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine (CID 16682573) is (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine is NC1=NC[C@H](Cc2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is GZHIEIMWGIISKF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19F6N3/c21-19(22,23)15-8-14(9-16(11-15)20(24,25)26)6-7-29-17(12-28-18(29)27)10-13-4-2-1-3-5-13/h1-5,8-9,11,17H,6-7,10,12H2,(H2,27,28)/t17-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 415.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).