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

C15H22FN3 — CID 23640802

IUPAC(5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CCc1cccc(F)c1
InChIInChI=1S/C15H22FN3/c1-3-11(2)14-10-18-15(17)19(14)8-7-12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3,(H2,17,18)/t11?,14-/m1/s1
InChIKeyFBBZOKNCVYWTCP-SBXXRYSUSA-N
MW263.36 g/mol
LogP2.41
Rot. Bonds5

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

(5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 23640802) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID23640802
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name(5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CCc1cccc(F)c1
InChIInChI=1S/C15H22FN3/c1-3-11(2)14-10-18-15(17)19(14)8-7-12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3,(H2,17,18)/t11?,14-/m1/s1
InChIKeyFBBZOKNCVYWTCP-SBXXRYSUSA-N
XLogP2.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine (CID 23640802) is (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine is CCC(C)[C@H]1CN=C(N)N1CCc1cccc(F)c1.
What is the InChIKey of (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FBBZOKNCVYWTCP-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H22FN3/c1-3-11(2)14-10-18-15(17)19(14)8-7-12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3,(H2,17,18)/t11?,14-/m1/s1.
What are the key properties of (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
(5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 263.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).