1-[2-(4-bromophenyl)hexyl]imidazole

C15H19BrN2 — CID 3006845

IUPAC1-[2-(4-bromophenyl)hexyl]imidazole
SMILESCCCCC(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2/c1-2-3-4-14(11-18-10-9-17-12-18)13-5-7-15(16)8-6-13/h5-10,12,14H,2-4,11H2,1H3
InChIKeyMZHGNGQGLMWHGJ-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.62
Rot. Bonds6

About 1-[2-(4-bromophenyl)hexyl]imidazole

1-[2-(4-bromophenyl)hexyl]imidazole (PubChem CID 3006845) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)hexyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)hexyl]imidazole
PubChem CID3006845
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name1-[2-(4-bromophenyl)hexyl]imidazole
SMILESCCCCC(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2/c1-2-3-4-14(11-18-10-9-17-12-18)13-5-7-15(16)8-6-13/h5-10,12,14H,2-4,11H2,1H3
InChIKeyMZHGNGQGLMWHGJ-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)hexyl]imidazole?
The IUPAC name of 1-[2-(4-bromophenyl)hexyl]imidazole (CID 3006845) is 1-[2-(4-bromophenyl)hexyl]imidazole.
What is the SMILES notation for 1-[2-(4-bromophenyl)hexyl]imidazole?
The canonical SMILES for 1-[2-(4-bromophenyl)hexyl]imidazole is CCCCC(Cn1ccnc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)hexyl]imidazole?
The InChIKey is MZHGNGQGLMWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-2-3-4-14(11-18-10-9-17-12-18)13-5-7-15(16)8-6-13/h5-10,12,14H,2-4,11H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)hexyl]imidazole?
1-[2-(4-bromophenyl)hexyl]imidazole has a molecular weight of 307.24 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)hexyl]imidazole is sourced from PubChem (CID 3006845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).