2-bromo-4-ethyl-1-phenylimidazole

C11H11BrN2 — CID 171075247

IUPAC2-bromo-4-ethyl-1-phenylimidazole
SMILESCCc1cn(-c2ccccc2)c(Br)n1
InChIInChI=1S/C11H11BrN2/c1-2-9-8-14(11(12)13-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKeyNMAROYYEXAUELY-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.20
Rot. Bonds2

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

2-bromo-4-ethyl-1-phenylimidazole (PubChem CID 171075247) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-bromo-4-ethyl-1-phenylimidazole.

Molecular Properties

Compound Name2-bromo-4-ethyl-1-phenylimidazole
PubChem CID171075247
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name2-bromo-4-ethyl-1-phenylimidazole
SMILESCCc1cn(-c2ccccc2)c(Br)n1
InChIInChI=1S/C11H11BrN2/c1-2-9-8-14(11(12)13-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKeyNMAROYYEXAUELY-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 2-bromo-4-ethyl-1-phenylimidazole?
The IUPAC name of 2-bromo-4-ethyl-1-phenylimidazole (CID 171075247) is 2-bromo-4-ethyl-1-phenylimidazole.
What is the SMILES notation for 2-bromo-4-ethyl-1-phenylimidazole?
The canonical SMILES for 2-bromo-4-ethyl-1-phenylimidazole is CCc1cn(-c2ccccc2)c(Br)n1.
What is the InChIKey of 2-bromo-4-ethyl-1-phenylimidazole?
The InChIKey is NMAROYYEXAUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-2-9-8-14(11(12)13-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3.
What are the key properties of 2-bromo-4-ethyl-1-phenylimidazole?
2-bromo-4-ethyl-1-phenylimidazole 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 2-bromo-4-ethyl-1-phenylimidazole is sourced from PubChem (CID 171075247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).