1-(4-bromophenyl)-5-ethylimidazole

C11H11BrN2 — CID 137371580

IUPAC1-(4-bromophenyl)-5-ethylimidazole
SMILESCCc1cncn1-c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2/c1-2-10-7-13-8-14(10)11-5-3-9(12)4-6-11/h3-8H,2H2,1H3
InChIKeyUJJQEDLZYNVGSM-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.20
Rot. Bonds2

About 1-(4-bromophenyl)-5-ethylimidazole

1-(4-bromophenyl)-5-ethylimidazole (PubChem CID 137371580) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-ethylimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-ethylimidazole
PubChem CID137371580
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name1-(4-bromophenyl)-5-ethylimidazole
SMILESCCc1cncn1-c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2/c1-2-10-7-13-8-14(10)11-5-3-9(12)4-6-11/h3-8H,2H2,1H3
InChIKeyUJJQEDLZYNVGSM-UHFFFAOYSA-N
XLogP3.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-ethylimidazole?
The IUPAC name of 1-(4-bromophenyl)-5-ethylimidazole (CID 137371580) is 1-(4-bromophenyl)-5-ethylimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-ethylimidazole?
The canonical SMILES for 1-(4-bromophenyl)-5-ethylimidazole is CCc1cncn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-ethylimidazole?
The InChIKey is UJJQEDLZYNVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-2-10-7-13-8-14(10)11-5-3-9(12)4-6-11/h3-8H,2H2,1H3.
What are the key properties of 1-(4-bromophenyl)-5-ethylimidazole?
1-(4-bromophenyl)-5-ethylimidazole has a molecular weight of 251.13 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-ethylimidazole is sourced from PubChem (CID 137371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).