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

C18H20FN3 — CID 16682584

IUPAC(5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CCc1cccc(F)c1
InChIInChI=1S/C18H20FN3/c19-16-8-4-7-15(11-16)9-10-22-17(13-21-18(22)20)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H2,20,21)/t17-/m0/s1
InChIKeyCOZUHJPAVUUVEA-KRWDZBQOSA-N
MW297.38 g/mol
LogP2.61
Rot. Bonds5

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

(5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 16682584) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is (5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID16682584
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name(5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CCc1cccc(F)c1
InChIInChI=1S/C18H20FN3/c19-16-8-4-7-15(11-16)9-10-22-17(13-21-18(22)20)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H2,20,21)/t17-/m0/s1
InChIKeyCOZUHJPAVUUVEA-KRWDZBQOSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.61
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-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine (CID 16682584) is (5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine is NC1=NC[C@H](Cc2ccccc2)N1CCc1cccc(F)c1.
What is the InChIKey of (5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is COZUHJPAVUUVEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN3/c19-16-8-4-7-15(11-16)9-10-22-17(13-21-18(22)20)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H2,20,21)/t17-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 2.61, 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-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).