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

C17H21F6N3 — CID 16682617

IUPAC(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine
SMILESCCCC[C@@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H21F6N3/c1-2-3-4-14-10-25-15(24)26(14)6-5-11-7-12(16(18,19)20)9-13(8-11)17(21,22)23/h7-9,14H,2-6,10H2,1H3,(H2,24,25)/t14-/m1/s1
InChIKeyOJDAJFVUJSNUHG-CQSZACIVSA-N
MW381.36 g/mol
LogP4.46
Rot. Bonds6

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

(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine (PubChem CID 16682617) has the molecular formula C17H21F6N3 and a molecular weight of 381.36 g/mol. Its IUPAC name is (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine
PubChem CID16682617
Molecular FormulaC17H21F6N3
Molecular Weight381.36 g/mol
Exact Mass381.16
IUPAC Name(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine
SMILESCCCC[C@@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H21F6N3/c1-2-3-4-14-10-25-15(24)26(14)6-5-11-7-12(16(18,19)20)9-13(8-11)17(21,22)23/h7-9,14H,2-6,10H2,1H3,(H2,24,25)/t14-/m1/s1
InChIKeyOJDAJFVUJSNUHG-CQSZACIVSA-N
XLogP4.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine (CID 16682617) is (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine is CCCC[C@@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine?
The InChIKey is OJDAJFVUJSNUHG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21F6N3/c1-2-3-4-14-10-25-15(24)26(14)6-5-11-7-12(16(18,19)20)9-13(8-11)17(21,22)23/h7-9,14H,2-6,10H2,1H3,(H2,24,25)/t14-/m1/s1.
What are the key properties of (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine?
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine has a molecular weight of 381.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).