1-[2-(3-bromophenoxy)ethyl]imidazole

C11H11BrN2O — CID 803108

IUPAC1-[2-(3-bromophenoxy)ethyl]imidazole
SMILESBrc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C11H11BrN2O/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14/h1-5,8-9H,6-7H2
InChIKeyVPVVZQWGTPPHAE-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.72
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]imidazole

1-[2-(3-bromophenoxy)ethyl]imidazole (PubChem CID 803108) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]imidazole
PubChem CID803108
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-[2-(3-bromophenoxy)ethyl]imidazole
SMILESBrc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C11H11BrN2O/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14/h1-5,8-9H,6-7H2
InChIKeyVPVVZQWGTPPHAE-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
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-(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-[2-(3-methylphenoxy)ethyl]-1H-imidazole
CID 868364
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]imidazole (CID 803108) is 1-[2-(3-bromophenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]imidazole is Brc1cccc(OCCn2ccnc2)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]imidazole?
The InChIKey is VPVVZQWGTPPHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14/h1-5,8-9H,6-7H2.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]imidazole?
1-[2-(3-bromophenoxy)ethyl]imidazole has a molecular weight of 267.13 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]imidazole is sourced from PubChem (CID 803108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).