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

C19H17F6N3 — CID 16682614

IUPAC(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](c2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6N3/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)6-7-28-16(11-27-17(28)26)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7,11H2,(H2,26,27)/t16-/m1/s1
InChIKeyOZEUINYTNRPMMX-MRXNPFEDSA-N
MW401.35 g/mol
LogP4.64
Rot. Bonds4

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

(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 16682614) has the molecular formula C19H17F6N3 and a molecular weight of 401.35 g/mol. Its IUPAC name is (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID16682614
Molecular FormulaC19H17F6N3
Molecular Weight401.35 g/mol
Exact Mass401.13
IUPAC Name(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](c2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6N3/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)6-7-28-16(11-27-17(28)26)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7,11H2,(H2,26,27)/t16-/m1/s1
InChIKeyOZEUINYTNRPMMX-MRXNPFEDSA-N
XLogP4.64
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine (CID 16682614) is (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine is NC1=NC[C@H](c2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is OZEUINYTNRPMMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17F6N3/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)6-7-28-16(11-27-17(28)26)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7,11H2,(H2,26,27)/t16-/m1/s1.
What are the key properties of (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 401.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).