2-bromo-5-(oxolan-2-yl)-1H-imidazole

C7H9BrN2O — CID 115029847

IUPAC2-bromo-5-(oxolan-2-yl)-1H-imidazole
SMILESBrc1ncc(C2CCCO2)[nH]1
InChIInChI=1S/C7H9BrN2O/c8-7-9-4-5(10-7)6-2-1-3-11-6/h4,6H,1-3H2,(H,9,10)
InChIKeyWKPNBVSKCMSHMA-UHFFFAOYSA-N
MW217.07 g/mol
LogP2.02
Rot. Bonds1

About 2-bromo-5-(oxolan-2-yl)-1H-imidazole

2-bromo-5-(oxolan-2-yl)-1H-imidazole (PubChem CID 115029847) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 2-bromo-5-(oxolan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-(oxolan-2-yl)-1H-imidazole
PubChem CID115029847
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name2-bromo-5-(oxolan-2-yl)-1H-imidazole
SMILESBrc1ncc(C2CCCO2)[nH]1
InChIInChI=1S/C7H9BrN2O/c8-7-9-4-5(10-7)6-2-1-3-11-6/h4,6H,1-3H2,(H,9,10)
InChIKeyWKPNBVSKCMSHMA-UHFFFAOYSA-N
XLogP2.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(oxolan-2-yl)-1H-imidazol-2-yl]piperidine
CID 115032869
2-bromo-5-(oxolan-2-yl)pyridine
CID 66521193
4-bromo-5-[(2S)-oxan-2-yl]-1H-pyrazole
CID 138634686
4-bromo-5-(oxan-2-yl)-1H-pyrazole
CID 68654841
5-(oxolan-2-yl)-1H-pyrazol-4-amine
CID 130577682
5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 114206357
2-bromo-4-(oxolan-2-yl)pyridine
CID 66521048
5-(oxan-2-yl)-1H-pyrazol-4-ol
CID 105433766
2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331461
3-bromo-2-methyl-6-(oxolan-2-yl)pyridine
CID 172992725
2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole
CID 141430289
2-(2-cyclobutyl-1H-imidazol-5-yl)morpholine
CID 105460677

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(oxolan-2-yl)-1H-imidazole?
The IUPAC name of 2-bromo-5-(oxolan-2-yl)-1H-imidazole (CID 115029847) is 2-bromo-5-(oxolan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-bromo-5-(oxolan-2-yl)-1H-imidazole?
The canonical SMILES for 2-bromo-5-(oxolan-2-yl)-1H-imidazole is Brc1ncc(C2CCCO2)[nH]1.
What is the InChIKey of 2-bromo-5-(oxolan-2-yl)-1H-imidazole?
The InChIKey is WKPNBVSKCMSHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-7-9-4-5(10-7)6-2-1-3-11-6/h4,6H,1-3H2,(H,9,10).
What are the key properties of 2-bromo-5-(oxolan-2-yl)-1H-imidazole?
2-bromo-5-(oxolan-2-yl)-1H-imidazole has a molecular weight of 217.07 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(oxolan-2-yl)-1H-imidazole is sourced from PubChem (CID 115029847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).