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

C9H15BrN2O — CID 134263909

IUPAC(1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol
SMILESCCC[C@@H](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/t7-/m1/s1
InChIKeyCECKSMWBXXLZLC-SSDOTTSWSA-N
MW247.14 g/mol
LogP2.32
Rot. Bonds3

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

(1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol (PubChem CID 134263909) has the molecular formula C9H15BrN2O and a molecular weight of 247.14 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol
PubChem CID134263909
Molecular FormulaC9H15BrN2O
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name(1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol
SMILESCCC[C@@H](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/t7-/m1/s1
InChIKeyCECKSMWBXXLZLC-SSDOTTSWSA-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 (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol?
The IUPAC name of (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol (CID 134263909) is (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol.
What is the SMILES notation for (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol?
The canonical SMILES for (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol is CCC[C@@H](O)c1c(Br)nc(C)n1C.
What is the InChIKey of (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol?
The InChIKey is CECKSMWBXXLZLC-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol?
(1R)-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 (1R)-1-(5-bromo-2,3-dimethylimidazol-4-yl)butan-1-ol is sourced from PubChem (CID 134263909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).