4-bromo-1-ethyl-2-phenylimidazole

C11H11BrN2 — CID 30032980

IUPAC4-bromo-1-ethyl-2-phenylimidazole
SMILESCCn1cc(Br)nc1-c1ccccc1
InChIInChI=1S/C11H11BrN2/c1-2-14-8-10(12)13-11(14)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeySSMUCXMDAXYUGH-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.33
Rot. Bonds2

About 4-bromo-1-ethyl-2-phenylimidazole

4-bromo-1-ethyl-2-phenylimidazole (PubChem CID 30032980) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 4-bromo-1-ethyl-2-phenylimidazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-2-phenylimidazole
PubChem CID30032980
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name4-bromo-1-ethyl-2-phenylimidazole
SMILESCCn1cc(Br)nc1-c1ccccc1
InChIInChI=1S/C11H11BrN2/c1-2-14-8-10(12)13-11(14)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeySSMUCXMDAXYUGH-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-2-phenylimidazole?
The IUPAC name of 4-bromo-1-ethyl-2-phenylimidazole (CID 30032980) is 4-bromo-1-ethyl-2-phenylimidazole.
What is the SMILES notation for 4-bromo-1-ethyl-2-phenylimidazole?
The canonical SMILES for 4-bromo-1-ethyl-2-phenylimidazole is CCn1cc(Br)nc1-c1ccccc1.
What is the InChIKey of 4-bromo-1-ethyl-2-phenylimidazole?
The InChIKey is SSMUCXMDAXYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-2-14-8-10(12)13-11(14)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 4-bromo-1-ethyl-2-phenylimidazole?
4-bromo-1-ethyl-2-phenylimidazole has a molecular weight of 251.13 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-2-phenylimidazole is sourced from PubChem (CID 30032980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).