lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate

C15H19LiN2O2 — CID 165382455

IUPAClithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate
SMILESCc1cc(C)c2nc(C)n(CCCCC(=O)[O-])c2c1.[Li+]
InChIInChI=1S/C15H20N2O2.Li/c1-10-8-11(2)15-13(9-10)17(12(3)16-15)7-5-4-6-14(18)19;/h8-9H,4-7H2,1-3H3,(H,18,19);/q;+1/p-1
InChIKeyNFSZNTKRIIMVGV-UHFFFAOYSA-M
MW266.27 g/mol
LogP-1.11
Rot. Bonds5

About lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate

lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate (PubChem CID 165382455) has the molecular formula C15H19LiN2O2 and a molecular weight of 266.27 g/mol. Its IUPAC name is lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate.

Molecular Properties

Compound Namelithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate
PubChem CID165382455
Molecular FormulaC15H19LiN2O2
Molecular Weight266.27 g/mol
Exact Mass266.16
IUPAC Namelithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate
SMILESCc1cc(C)c2nc(C)n(CCCCC(=O)[O-])c2c1.[Li+]
InChIInChI=1S/C15H20N2O2.Li/c1-10-8-11(2)15-13(9-10)17(12(3)16-15)7-5-4-6-14(18)19;/h8-9H,4-7H2,1-3H3,(H,18,19);/q;+1/p-1
InChIKeyNFSZNTKRIIMVGV-UHFFFAOYSA-M
XLogP-1.11
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium
CID 167643136
sodium 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoate
CID 165382501
sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate
CID 70344895
1,2,4,6-tetramethylbenzimidazole
CID 58565379
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
sodium 8-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 70523195
2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
CID 84638251
1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine
CID 91671831
sodium 4-(6-methylbenzotriazol-1-yl)butanoate
CID 165382452
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol
CID 156539622
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377

Frequently Asked Questions

What is the IUPAC name of lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate?
The IUPAC name of lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate (CID 165382455) is lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate.
What is the SMILES notation for lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate?
The canonical SMILES for lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate is Cc1cc(C)c2nc(C)n(CCCCC(=O)[O-])c2c1.[Li+].
What is the InChIKey of lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate?
The InChIKey is NFSZNTKRIIMVGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20N2O2.Li/c1-10-8-11(2)15-13(9-10)17(12(3)16-15)7-5-4-6-14(18)19;/h8-9H,4-7H2,1-3H3,(H,18,19);/q;+1/p-1.
What are the key properties of lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate?
lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate has a molecular weight of 266.27 g/mol, XLogP of -1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate is sourced from PubChem (CID 165382455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).