1-[3-(3-bromophenoxy)propyl]imidazole

C12H13BrN2O — CID 2924021

IUPAC1-[3-(3-bromophenoxy)propyl]imidazole
SMILESBrc1cccc(OCCCn2ccnc2)c1
InChIInChI=1S/C12H13BrN2O/c13-11-3-1-4-12(9-11)16-8-2-6-15-7-5-14-10-15/h1,3-5,7,9-10H,2,6,8H2
InChIKeyPENBTUQIKAZPEZ-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.11
Rot. Bonds5

About 1-[3-(3-bromophenoxy)propyl]imidazole

1-[3-(3-bromophenoxy)propyl]imidazole (PubChem CID 2924021) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-[3-(3-bromophenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(3-bromophenoxy)propyl]imidazole
PubChem CID2924021
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-[3-(3-bromophenoxy)propyl]imidazole
SMILESBrc1cccc(OCCCn2ccnc2)c1
InChIInChI=1S/C12H13BrN2O/c13-11-3-1-4-12(9-11)16-8-2-6-15-7-5-14-10-15/h1,3-5,7,9-10H,2,6,8H2
InChIKeyPENBTUQIKAZPEZ-UHFFFAOYSA-N
XLogP3.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.11
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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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-(4-bromophenoxy)-3-(1H-imidazol-1-yl)propan-2-ol
CID 2953277
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
1-[3-(4-methoxyphenoxy)propyl]-1H-imidazole
CID 24761416
1-[4-(4-Iodophenoxy)butyl]-1H-imidazole
CID 2843440
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
1-[3-(3-methylphenoxy)propyl]-1H-imidazole
CID 2841257
1-[2-(4-bromo-2-chlorophenoxy)ethyl]-1H-imidazole
CID 803458

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(3-bromophenoxy)propyl]imidazole (CID 2924021) is 1-[3-(3-bromophenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(3-bromophenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(3-bromophenoxy)propyl]imidazole is Brc1cccc(OCCCn2ccnc2)c1.
What is the InChIKey of 1-[3-(3-bromophenoxy)propyl]imidazole?
The InChIKey is PENBTUQIKAZPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-11-3-1-4-12(9-11)16-8-2-6-15-7-5-14-10-15/h1,3-5,7,9-10H,2,6,8H2.
What are the key properties of 1-[3-(3-bromophenoxy)propyl]imidazole?
1-[3-(3-bromophenoxy)propyl]imidazole has a molecular weight of 281.15 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenoxy)propyl]imidazole is sourced from PubChem (CID 2924021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).