1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine

C17H16BrN3 — CID 43650613

IUPAC1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C17H16BrN3/c18-14-8-6-13(7-9-14)16-11-20-17(21-16)15(19)10-12-4-2-1-3-5-12/h1-9,11,15H,10,19H2,(H,20,21)
InChIKeyMZBRXRLSNCETPG-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.08
Rot. Bonds4

About 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine

1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine (PubChem CID 43650613) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
PubChem CID43650613
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C17H16BrN3/c18-14-8-6-13(7-9-14)16-11-20-17(21-16)15(19)10-12-4-2-1-3-5-12/h1-9,11,15H,10,19H2,(H,20,21)
InChIKeyMZBRXRLSNCETPG-UHFFFAOYSA-N
XLogP4.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine?
The IUPAC name of 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine (CID 43650613) is 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine.
What is the SMILES notation for 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine?
The canonical SMILES for 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine is NC(Cc1ccccc1)c1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine?
The InChIKey is MZBRXRLSNCETPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-14-8-6-13(7-9-14)16-11-20-17(21-16)15(19)10-12-4-2-1-3-5-12/h1-9,11,15H,10,19H2,(H,20,21).
What are the key properties of 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine?
1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine has a molecular weight of 342.24 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine is sourced from PubChem (CID 43650613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).