lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate

C30H59B2Br2F8LiN6-2 — CID 162290359

IUPAClithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate
SMILESCCCCCCBr.CCCCCCN1C=CN(C)C1.CCCCCCN1C=CN(C)C1.Cn1ccnc1.F[B-](F)(F)F.F[B-](F)(F)F.[Br-].[Li+]
InChIInChI=1S/2C10H20N2.C6H13Br.C4H6N2.2BF4.BrH.Li/c2*1-3-4-5-6-7-12-9-8-11(2)10-12;1-2-3-4-5-6-7;1-6-3-2-5-4-6;2*2-1(3,4)5;;/h2*8-9H,3-7,10H2,1-2H3;2-6H2,1H3;2-4H,1H3;;;1H;/q;;;;2*-1;;+1/p-1
InChIKeyRYNLORXTISQDRN-UHFFFAOYSA-M
MW844.20 g/mol
LogP4.48
Rot. Bonds14

About lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate

lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate (PubChem CID 162290359) has the molecular formula C30H59B2Br2F8LiN6-2 and a molecular weight of 844.20 g/mol. Its IUPAC name is lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate.

Molecular Properties

Compound Namelithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate
PubChem CID162290359
Molecular FormulaC30H59B2Br2F8LiN6-2
Molecular Weight844.20 g/mol
Exact Mass842.34
IUPAC Namelithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate
SMILESCCCCCCBr.CCCCCCN1C=CN(C)C1.CCCCCCN1C=CN(C)C1.Cn1ccnc1.F[B-](F)(F)F.F[B-](F)(F)F.[Br-].[Li+]
InChIInChI=1S/2C10H20N2.C6H13Br.C4H6N2.2BF4.BrH.Li/c2*1-3-4-5-6-7-12-9-8-11(2)10-12;1-2-3-4-5-6-7;1-6-3-2-5-4-6;2*2-1(3,4)5;;/h2*8-9H,3-7,10H2,1-2H3;2-6H2,1H3;2-4H,1H3;;;1H;/q;;;;2*-1;;+1/p-1
InChIKeyRYNLORXTISQDRN-UHFFFAOYSA-M
XLogP4.48
TPSA30.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500844.20
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromodecane;1-methylimidazole
CID 170328654
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-(6-bromohexyl)-3-tetradecyl-2H-imidazole
CID 141476954
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1,6-dibromohexane;1-methylimidazole
CID 174663744
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129

Frequently Asked Questions

What is the IUPAC name of lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate?
The IUPAC name of lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate (CID 162290359) is lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate.
What is the SMILES notation for lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate?
The canonical SMILES for lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate is CCCCCCBr.CCCCCCN1C=CN(C)C1.CCCCCCN1C=CN(C)C1.Cn1ccnc1.F[B-](F)(F)F.F[B-](F)(F)F.[Br-].[Li+].
What is the InChIKey of lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate?
The InChIKey is RYNLORXTISQDRN-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H20N2.C6H13Br.C4H6N2.2BF4.BrH.Li/c2*1-3-4-5-6-7-12-9-8-11(2)10-12;1-2-3-4-5-6-7;1-6-3-2-5-4-6;2*2-1(3,4)5;;/h2*8-9H,3-7,10H2,1-2H3;2-6H2,1H3;2-4H,1H3;;;1H;/q;;;;2*-1;;+1/p-1.
What are the key properties of lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate?
lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate has a molecular weight of 844.20 g/mol, XLogP of 4.48, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-bromohexane;bis(1-hexyl-3-methyl-2H-imidazole);1-methylimidazole;bromide;ditetrafluoroborate is sourced from PubChem (CID 162290359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).