(5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine

C12H17N3 — CID 135386347

IUPAC(5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N)N1CCc1ccccc1
InChIInChI=1S/C12H17N3/c1-10-9-14-12(13)15(10)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKeyJFDODRFXPHWIQC-JTQLQIEISA-N
MW203.29 g/mol
LogP1.25
Rot. Bonds3

About (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 135386347) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID135386347
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N)N1CCc1ccccc1
InChIInChI=1S/C12H17N3/c1-10-9-14-12(13)15(10)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKeyJFDODRFXPHWIQC-JTQLQIEISA-N
XLogP1.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine (CID 135386347) is (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N)N1CCc1ccccc1.
What is the InChIKey of (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JFDODRFXPHWIQC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3/c1-10-9-14-12(13)15(10)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14)/t10-/m0/s1.
What are the key properties of (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135386347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).