5-(4-bromophenyl)-2-chloro-1-ethylimidazole

C11H10BrClN2 — CID 117260161

IUPAC5-(4-bromophenyl)-2-chloro-1-ethylimidazole
SMILESCCn1c(-c2ccc(Br)cc2)cnc1Cl
InChIInChI=1S/C11H10BrClN2/c1-2-15-10(7-14-11(15)13)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3
InChIKeyXRGIAJGQIQGWDJ-UHFFFAOYSA-N
MW285.57 g/mol
LogP3.99
Rot. Bonds2

About 5-(4-bromophenyl)-2-chloro-1-ethylimidazole

5-(4-bromophenyl)-2-chloro-1-ethylimidazole (PubChem CID 117260161) has the molecular formula C11H10BrClN2 and a molecular weight of 285.57 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-chloro-1-ethylimidazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-chloro-1-ethylimidazole
PubChem CID117260161
Molecular FormulaC11H10BrClN2
Molecular Weight285.57 g/mol
Exact Mass283.97
IUPAC Name5-(4-bromophenyl)-2-chloro-1-ethylimidazole
SMILESCCn1c(-c2ccc(Br)cc2)cnc1Cl
InChIInChI=1S/C11H10BrClN2/c1-2-15-10(7-14-11(15)13)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3
InChIKeyXRGIAJGQIQGWDJ-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-chloro-1-ethylimidazole?
The IUPAC name of 5-(4-bromophenyl)-2-chloro-1-ethylimidazole (CID 117260161) is 5-(4-bromophenyl)-2-chloro-1-ethylimidazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-chloro-1-ethylimidazole?
The canonical SMILES for 5-(4-bromophenyl)-2-chloro-1-ethylimidazole is CCn1c(-c2ccc(Br)cc2)cnc1Cl.
What is the InChIKey of 5-(4-bromophenyl)-2-chloro-1-ethylimidazole?
The InChIKey is XRGIAJGQIQGWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2/c1-2-15-10(7-14-11(15)13)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 5-(4-bromophenyl)-2-chloro-1-ethylimidazole?
5-(4-bromophenyl)-2-chloro-1-ethylimidazole has a molecular weight of 285.57 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-chloro-1-ethylimidazole is sourced from PubChem (CID 117260161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).