potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium

C15H20KN2OPV — CID 167643136

IUPACpotassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium
SMILES[CH2-]PC(=O)CCCn1c(C)nc2c(C)cc(C)cc21.[K+].[V]
InChIInChI=1S/C15H20N2OP.K.V/c1-10-8-11(2)15-13(9-10)17(12(3)16-15)7-5-6-14(18)19-4;;/h8-9,19H,4-7H2,1-3H3;;/q-1;+1;
InChIKeyWAUUIUFYBOXYCF-UHFFFAOYSA-N
MW365.35 g/mol
LogP0.74
Rot. Bonds5

About potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium

potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium (PubChem CID 167643136) has the molecular formula C15H20KN2OPV and a molecular weight of 365.35 g/mol. Its IUPAC name is potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium.

Molecular Properties

Compound Namepotassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium
PubChem CID167643136
Molecular FormulaC15H20KN2OPV
Molecular Weight365.35 g/mol
Exact Mass365.04
IUPAC Namepotassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium
SMILES[CH2-]PC(=O)CCCn1c(C)nc2c(C)cc(C)cc21.[K+].[V]
InChIInChI=1S/C15H20N2OP.K.V/c1-10-8-11(2)15-13(9-10)17(12(3)16-15)7-5-6-14(18)19-4;;/h8-9,19H,4-7H2,1-3H3;;/q-1;+1;
InChIKeyWAUUIUFYBOXYCF-UHFFFAOYSA-N
XLogP0.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate
CID 165382455
1,2,4,6-tetramethylbenzimidazole
CID 58565379
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
sodium 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoate
CID 165382501
5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one
CID 167583798
2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
CID 84638251
1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine
CID 91671831
5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
CID 167596718
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
4-(5-methoxy-2-methylbenzimidazol-1-yl)butanoic acid
CID 83418426

Frequently Asked Questions

What is the IUPAC name of potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium?
The IUPAC name of potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium (CID 167643136) is potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium.
What is the SMILES notation for potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium?
The canonical SMILES for potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium is [CH2-]PC(=O)CCCn1c(C)nc2c(C)cc(C)cc21.[K+].[V].
What is the InChIKey of potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium?
The InChIKey is WAUUIUFYBOXYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OP.K.V/c1-10-8-11(2)15-13(9-10)17(12(3)16-15)7-5-6-14(18)19-4;;/h8-9,19H,4-7H2,1-3H3;;/q-1;+1;.
What are the key properties of potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium?
potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium has a molecular weight of 365.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium is sourced from PubChem (CID 167643136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).