potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate

C14H15KN2O3 — CID 58580442

IUPACpotassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
SMILESCn1c(CC(=O)CCCC(=O)[O-])nc2ccccc21.[K+]
InChIInChI=1S/C14H16N2O3.K/c1-16-12-7-3-2-6-11(12)15-13(16)9-10(17)5-4-8-14(18)19;/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyPQLDZTGHHILMMO-UHFFFAOYSA-M
MW298.38 g/mol
LogP-2.39
Rot. Bonds6

About potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate

potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate (PubChem CID 58580442) has the molecular formula C14H15KN2O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate.

Molecular Properties

Compound Namepotassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
PubChem CID58580442
Molecular FormulaC14H15KN2O3
Molecular Weight298.38 g/mol
Exact Mass298.07
IUPAC Namepotassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
SMILESCn1c(CC(=O)CCCC(=O)[O-])nc2ccccc21.[K+]
InChIInChI=1S/C14H16N2O3.K/c1-16-12-7-3-2-6-11(12)15-13(16)9-10(17)5-4-8-14(18)19;/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyPQLDZTGHHILMMO-UHFFFAOYSA-M
XLogP-2.39
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
1-(1-methylbenzimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588576
1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
CID 79753774
1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79755509
copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate
CID 134105261
4,5,5-trimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-one
CID 115782482
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515

Frequently Asked Questions

What is the IUPAC name of potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate?
The IUPAC name of potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate (CID 58580442) is potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate.
What is the SMILES notation for potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate?
The canonical SMILES for potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate is Cn1c(CC(=O)CCCC(=O)[O-])nc2ccccc21.[K+].
What is the InChIKey of potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate?
The InChIKey is PQLDZTGHHILMMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N2O3.K/c1-16-12-7-3-2-6-11(12)15-13(16)9-10(17)5-4-8-14(18)19;/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate?
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate has a molecular weight of 298.38 g/mol, XLogP of -2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate is sourced from PubChem (CID 58580442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).