sodium;1-butylimidazole;bromide

C7H12BrN2Na — CID 175480877

IUPACsodium;1-butylimidazole;bromide
SMILESCCCCn1ccnc1.[Br-].[Na+]
InChIInChI=1S/C7H12N2.BrH.Na/c1-2-3-5-9-6-4-8-7-9;;/h4,6-7H,2-3,5H2,1H3;1H;/q;;+1/p-1
InChIKeySXCSHSRHUDLWQZ-UHFFFAOYSA-M
MW227.08 g/mol
LogP-4.31
Rot. Bonds3

About sodium;1-butylimidazole;bromide

sodium;1-butylimidazole;bromide (PubChem CID 175480877) has the molecular formula C7H12BrN2Na and a molecular weight of 227.08 g/mol. Its IUPAC name is sodium;1-butylimidazole;bromide.

Molecular Properties

Compound Namesodium;1-butylimidazole;bromide
PubChem CID175480877
Molecular FormulaC7H12BrN2Na
Molecular Weight227.08 g/mol
Exact Mass226.01
IUPAC Namesodium;1-butylimidazole;bromide
SMILESCCCCn1ccnc1.[Br-].[Na+]
InChIInChI=1S/C7H12N2.BrH.Na/c1-2-3-5-9-6-4-8-7-9;;/h4,6-7H,2-3,5H2,1H3;1H;/q;;+1/p-1
InChIKeySXCSHSRHUDLWQZ-UHFFFAOYSA-M
XLogP-4.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.08
LogP ≤ 5-4.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;1-butylimidazole;bromide?
The IUPAC name of sodium;1-butylimidazole;bromide (CID 175480877) is sodium;1-butylimidazole;bromide.
What is the SMILES notation for sodium;1-butylimidazole;bromide?
The canonical SMILES for sodium;1-butylimidazole;bromide is CCCCn1ccnc1.[Br-].[Na+].
What is the InChIKey of sodium;1-butylimidazole;bromide?
The InChIKey is SXCSHSRHUDLWQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N2.BrH.Na/c1-2-3-5-9-6-4-8-7-9;;/h4,6-7H,2-3,5H2,1H3;1H;/q;;+1/p-1.
What are the key properties of sodium;1-butylimidazole;bromide?
sodium;1-butylimidazole;bromide has a molecular weight of 227.08 g/mol, XLogP of -4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-butylimidazole;bromide is sourced from PubChem (CID 175480877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).