1-(4-bromophenyl)-3-hexyl-2H-imidazole

C15H21BrN2 — CID 71246087

IUPAC1-(4-bromophenyl)-3-hexyl-2H-imidazole
SMILESCCCCCCN1C=CN(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2/c1-2-3-4-5-10-17-11-12-18(13-17)15-8-6-14(16)7-9-15/h6-9,11-12H,2-5,10,13H2,1H3
InChIKeyJFQKNXJBDRVGLN-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.58
Rot. Bonds6

About 1-(4-bromophenyl)-3-hexyl-2H-imidazole

1-(4-bromophenyl)-3-hexyl-2H-imidazole (PubChem CID 71246087) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-hexyl-2H-imidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-hexyl-2H-imidazole
PubChem CID71246087
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(4-bromophenyl)-3-hexyl-2H-imidazole
SMILESCCCCCCN1C=CN(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2/c1-2-3-4-5-10-17-11-12-18(13-17)15-8-6-14(16)7-9-15/h6-9,11-12H,2-5,10,13H2,1H3
InChIKeyJFQKNXJBDRVGLN-UHFFFAOYSA-N
XLogP4.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-hexyl-2H-imidazole?
The IUPAC name of 1-(4-bromophenyl)-3-hexyl-2H-imidazole (CID 71246087) is 1-(4-bromophenyl)-3-hexyl-2H-imidazole.
What is the SMILES notation for 1-(4-bromophenyl)-3-hexyl-2H-imidazole?
The canonical SMILES for 1-(4-bromophenyl)-3-hexyl-2H-imidazole is CCCCCCN1C=CN(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-3-hexyl-2H-imidazole?
The InChIKey is JFQKNXJBDRVGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-2-3-4-5-10-17-11-12-18(13-17)15-8-6-14(16)7-9-15/h6-9,11-12H,2-5,10,13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-hexyl-2H-imidazole?
1-(4-bromophenyl)-3-hexyl-2H-imidazole has a molecular weight of 309.25 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-hexyl-2H-imidazole is sourced from PubChem (CID 71246087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).