(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine

C₁₇H₁₆BrN₃ — CID 104942051

About (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine

(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine (PubChem CID 104942051) has the molecular formula C₁₇H₁₆BrN₃ and a molecular weight of 342.24 g/mol. Its IUPAC name is (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine.

Molecular Properties

• Compound Name: (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine
• PubChem CID: 104942051
• Molecular Formula: C₁₇H₁₆BrN₃
• Molecular Weight: 342.24 g/mol
• Exact Mass: 341.05
• IUPAC Name: (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine
• SMILES: N[C@H](Cc1ccccc1)c1cncn1-c1ccc(Br)cc1
• InChI: InChI=1S/C17H16BrN3/c18-14-6-8-15(9-7-14)21-12-20-11-17(21)16(19)10-13-4-2-1-3-5-13/h1-9,11-12,16H,10,19H2/t16-/m1/s1
• InChIKey: NJLATHJYVNBSSP-MRXNPFEDSA-N
• XLogP: 3.88
• TPSA: 43.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.24
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine?

The IUPAC name of (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine (CID 104942051) is (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine.

What is the SMILES notation for (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine?

The canonical SMILES for (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine is N[C@H](Cc1ccccc1)c1cncn1-c1ccc(Br)cc1.

What is the InChIKey of (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine?

The InChIKey is NJLATHJYVNBSSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-14-6-8-15(9-7-14)21-12-20-11-17(21)16(19)10-13-4-2-1-3-5-13/h1-9,11-12,16H,10,19H2/t16-/m1/s1.

What are the key properties of (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine?

(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine has a molecular weight of 342.24 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine is sourced from PubChem (CID 104942051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 104942051 — identifiers, structure, computed properties (public domain)

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