1-[5-(3-bromophenoxy)pentyl]imidazole

C14H17BrN2O — CID 118733120

IUPAC1-[5-(3-bromophenoxy)pentyl]imidazole
SMILESBrc1cccc(OCCCCCn2ccnc2)c1
InChIInChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2
InChIKeyNAEQECYVIPSHLJ-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.89
Rot. Bonds7

About 1-[5-(3-bromophenoxy)pentyl]imidazole

1-[5-(3-bromophenoxy)pentyl]imidazole (PubChem CID 118733120) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-[5-(3-bromophenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(3-bromophenoxy)pentyl]imidazole
PubChem CID118733120
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-[5-(3-bromophenoxy)pentyl]imidazole
SMILESBrc1cccc(OCCCCCn2ccnc2)c1
InChIInChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2
InChIKeyNAEQECYVIPSHLJ-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[5-(3-bromophenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(3-bromophenoxy)pentyl]imidazole (CID 118733120) is 1-[5-(3-bromophenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(3-bromophenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(3-bromophenoxy)pentyl]imidazole is Brc1cccc(OCCCCCn2ccnc2)c1.
What is the InChIKey of 1-[5-(3-bromophenoxy)pentyl]imidazole?
The InChIKey is NAEQECYVIPSHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2.
What are the key properties of 1-[5-(3-bromophenoxy)pentyl]imidazole?
1-[5-(3-bromophenoxy)pentyl]imidazole has a molecular weight of 309.21 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenoxy)pentyl]imidazole is sourced from PubChem (CID 118733120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).