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

C₁₂H₁₆FN₃ — CID 135386625

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

(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 135386625) has the molecular formula C₁₂H₁₆FN₃ and a molecular weight of 221.28 g/mol. Its IUPAC name is (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

• Compound Name: (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
• PubChem CID: 135386625
• Molecular Formula: C₁₂H₁₆FN₃
• Molecular Weight: 221.28 g/mol
• Exact Mass: 221.13
• IUPAC Name: (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
• SMILES: C[C@H]1CN=C(N)N1CCc1cccc(F)c1
• InChI: InChI=1S/C12H16FN3/c1-9-8-15-12(14)16(9)6-5-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1
• InChIKey: DVLVMVAEIPBHRP-VIFPVBQESA-N
• XLogP: 1.39
• TPSA: 41.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.28
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?

The IUPAC name of (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine (CID 135386625) is (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine.

What is the SMILES notation for (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?

The canonical SMILES for (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N)N1CCc1cccc(F)c1.

What is the InChIKey of (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?

The InChIKey is DVLVMVAEIPBHRP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16FN3/c1-9-8-15-12(14)16(9)6-5-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1.

What are the key properties of (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?

(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 221.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135386625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135386625 — identifiers, structure, computed properties (public domain)

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