1-[6-(4-bromophenyl)hexyl]imidazole

C15H19BrN2 — CID 141475213

IUPAC1-[6-(4-bromophenyl)hexyl]imidazole
SMILESBrc1ccc(CCCCCCn2ccnc2)cc1
InChIInChI=1S/C15H19BrN2/c16-15-8-6-14(7-9-15)5-3-1-2-4-11-18-12-10-17-13-18/h6-10,12-13H,1-5,11H2
InChIKeyVRAGGHBUCMQCAT-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.45
Rot. Bonds7

About 1-[6-(4-bromophenyl)hexyl]imidazole

1-[6-(4-bromophenyl)hexyl]imidazole (PubChem CID 141475213) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-[6-(4-bromophenyl)hexyl]imidazole.

Molecular Properties

Compound Name1-[6-(4-bromophenyl)hexyl]imidazole
PubChem CID141475213
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name1-[6-(4-bromophenyl)hexyl]imidazole
SMILESBrc1ccc(CCCCCCn2ccnc2)cc1
InChIInChI=1S/C15H19BrN2/c16-15-8-6-14(7-9-15)5-3-1-2-4-11-18-12-10-17-13-18/h6-10,12-13H,1-5,11H2
InChIKeyVRAGGHBUCMQCAT-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.45
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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Related Compounds

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1-[(4-bromophenyl)methyl]-4-(2-imidazol-1-ylethyl)piperazine
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1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one
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CID 104601036
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CID 69084097
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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromophenyl)hexyl]imidazole?
The IUPAC name of 1-[6-(4-bromophenyl)hexyl]imidazole (CID 141475213) is 1-[6-(4-bromophenyl)hexyl]imidazole.
What is the SMILES notation for 1-[6-(4-bromophenyl)hexyl]imidazole?
The canonical SMILES for 1-[6-(4-bromophenyl)hexyl]imidazole is Brc1ccc(CCCCCCn2ccnc2)cc1.
What is the InChIKey of 1-[6-(4-bromophenyl)hexyl]imidazole?
The InChIKey is VRAGGHBUCMQCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-15-8-6-14(7-9-15)5-3-1-2-4-11-18-12-10-17-13-18/h6-10,12-13H,1-5,11H2.
What are the key properties of 1-[6-(4-bromophenyl)hexyl]imidazole?
1-[6-(4-bromophenyl)hexyl]imidazole has a molecular weight of 307.24 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromophenyl)hexyl]imidazole is sourced from PubChem (CID 141475213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).