1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol

C9H15BrN2O — CID 134263910

IUPAC1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol
SMILESCCCC(O)c1c(Br)nc(C)n1C
InChIInChI=1S/C9H15BrN2O/c1-4-5-7(13)8-9(10)11-6(2)12(8)3/h7,13H,4-5H2,1-3H3
InChIKeyCECKSMWBXXLZLC-UHFFFAOYSA-N
MW247.14 g/mol
LogP2.32
Rot. Bonds3

About 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol

1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol (PubChem CID 134263910) has the molecular formula C9H15BrN2O and a molecular weight of 247.14 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol
PubChem CID134263910
Molecular FormulaC9H15BrN2O
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol
SMILESCCCC(O)c1c(Br)nc(C)n1C
InChIInChI=1S/C9H15BrN2O/c1-4-5-7(13)8-9(10)11-6(2)12(8)3/h7,13H,4-5H2,1-3H3
InChIKeyCECKSMWBXXLZLC-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol?
The IUPAC name of 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol (CID 134263910) is 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol.
What is the SMILES notation for 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol?
The canonical SMILES for 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol is CCCC(O)c1c(Br)nc(C)n1C.
What is the InChIKey of 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol?
The InChIKey is CECKSMWBXXLZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O/c1-4-5-7(13)8-9(10)11-6(2)12(8)3/h7,13H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol?
1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol has a molecular weight of 247.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol is sourced from PubChem (CID 134263910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).