1-[2-(2-bromophenyl)nonyl]imidazole

C18H25BrN2 — CID 3006829

IUPAC1-[2-(2-bromophenyl)nonyl]imidazole
SMILESCCCCCCCC(Cn1ccnc1)c1ccccc1Br
InChIInChI=1S/C18H25BrN2/c1-2-3-4-5-6-9-16(14-21-13-12-20-15-21)17-10-7-8-11-18(17)19/h7-8,10-13,15-16H,2-6,9,14H2,1H3
InChIKeyCXOBEGWNVZCEPO-UHFFFAOYSA-N
MW349.32 g/mol
LogP5.79
Rot. Bonds9

About 1-[2-(2-bromophenyl)nonyl]imidazole

1-[2-(2-bromophenyl)nonyl]imidazole (PubChem CID 3006829) has the molecular formula C18H25BrN2 and a molecular weight of 349.32 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)nonyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)nonyl]imidazole
PubChem CID3006829
Molecular FormulaC18H25BrN2
Molecular Weight349.32 g/mol
Exact Mass348.12
IUPAC Name1-[2-(2-bromophenyl)nonyl]imidazole
SMILESCCCCCCCC(Cn1ccnc1)c1ccccc1Br
InChIInChI=1S/C18H25BrN2/c1-2-3-4-5-6-9-16(14-21-13-12-20-15-21)17-10-7-8-11-18(17)19/h7-8,10-13,15-16H,2-6,9,14H2,1H3
InChIKeyCXOBEGWNVZCEPO-UHFFFAOYSA-N
XLogP5.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.32
LogP ≤ 55.79
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-[2-(2-bromophenyl)nonyl]imidazole?
The IUPAC name of 1-[2-(2-bromophenyl)nonyl]imidazole (CID 3006829) is 1-[2-(2-bromophenyl)nonyl]imidazole.
What is the SMILES notation for 1-[2-(2-bromophenyl)nonyl]imidazole?
The canonical SMILES for 1-[2-(2-bromophenyl)nonyl]imidazole is CCCCCCCC(Cn1ccnc1)c1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)nonyl]imidazole?
The InChIKey is CXOBEGWNVZCEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2/c1-2-3-4-5-6-9-16(14-21-13-12-20-15-21)17-10-7-8-11-18(17)19/h7-8,10-13,15-16H,2-6,9,14H2,1H3.
What are the key properties of 1-[2-(2-bromophenyl)nonyl]imidazole?
1-[2-(2-bromophenyl)nonyl]imidazole has a molecular weight of 349.32 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)nonyl]imidazole is sourced from PubChem (CID 3006829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).