4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole

C9H13BrN2O — CID 130138637

IUPAC4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole
SMILESCCc1nc(Br)cn1C1CCOC1
InChIInChI=1S/C9H13BrN2O/c1-2-9-11-8(10)5-12(9)7-3-4-13-6-7/h5,7H,2-4,6H2,1H3
InChIKeyWNUFEOHMQBVONS-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.17
Rot. Bonds2

About 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole

4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole (PubChem CID 130138637) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole.

Molecular Properties

Compound Name4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole
PubChem CID130138637
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole
SMILESCCc1nc(Br)cn1C1CCOC1
InChIInChI=1S/C9H13BrN2O/c1-2-9-11-8(10)5-12(9)7-3-4-13-6-7/h5,7H,2-4,6H2,1H3
InChIKeyWNUFEOHMQBVONS-UHFFFAOYSA-N
XLogP2.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole?
The IUPAC name of 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole (CID 130138637) is 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole.
What is the SMILES notation for 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole?
The canonical SMILES for 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole is CCc1nc(Br)cn1C1CCOC1.
What is the InChIKey of 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole?
The InChIKey is WNUFEOHMQBVONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-9-11-8(10)5-12(9)7-3-4-13-6-7/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole?
4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole has a molecular weight of 245.12 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole is sourced from PubChem (CID 130138637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).