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

C9H13BrN2O — CID 130138639

IUPAC4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole
SMILESCCc1nc(Br)cn1C1CCCO1
InChIInChI=1S/C9H13BrN2O/c1-2-8-11-7(10)6-12(8)9-4-3-5-13-9/h6,9H,2-5H2,1H3
InChIKeyVZOBDAISGYKLJC-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.52
Rot. Bonds2

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

4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole (PubChem CID 130138639) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole.

Molecular Properties

Compound Name4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole
PubChem CID130138639
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole
SMILESCCc1nc(Br)cn1C1CCCO1
InChIInChI=1S/C9H13BrN2O/c1-2-8-11-7(10)6-12(8)9-4-3-5-13-9/h6,9H,2-5H2,1H3
InChIKeyVZOBDAISGYKLJC-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole
CID 130138637
4-bromo-1-(oxan-2-yl)-2-propan-2-ylimidazole
CID 130138805
3-bromo-4-(oxolan-2-yl)-1,2,4-triazole
CID 172993478
9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
CID 176926702
4-bromo-1-(oxolan-2-yl)pyrazole
CID 130806899
4-methyl-1-(oxolan-2-yl)pyrimidine-2-thione
CID 19980868
ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole
CID 176927418
5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole
CID 71272225
5-bromo-2-methyl-1-(oxolan-2-yl)imidazole
CID 172992818
3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole
CID 171763261
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole?
The IUPAC name of 4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole (CID 130138639) is 4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole.
What is the SMILES notation for 4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole?
The canonical SMILES for 4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole is CCc1nc(Br)cn1C1CCCO1.
What is the InChIKey of 4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole?
The InChIKey is VZOBDAISGYKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-8-11-7(10)6-12(8)9-4-3-5-13-9/h6,9H,2-5H2,1H3.
What are the key properties of 4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole?
4-bromo-2-ethyl-1-(oxolan-2-yl)imidazole has a molecular weight of 245.12 g/mol, XLogP of 2.52, 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-2-yl)imidazole is sourced from PubChem (CID 130138639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).