1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid

C15H20N2O3 — CID 106116847

IUPAC1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid
SMILESCCCC(CCO)Cn1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N2O3/c1-2-4-11(7-8-18)9-17-10-16-14-12(15(19)20)5-3-6-13(14)17/h3,5-6,10-11,18H,2,4,7-9H2,1H3,(H,19,20)
InChIKeyGLXKXYXDGHFULG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.53
Rot. Bonds7

About 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid

1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid (PubChem CID 106116847) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid
PubChem CID106116847
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid
SMILESCCCC(CCO)Cn1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N2O3/c1-2-4-11(7-8-18)9-17-10-16-14-12(15(19)20)5-3-6-13(14)17/h3,5-6,10-11,18H,2,4,7-9H2,1H3,(H,19,20)
InChIKeyGLXKXYXDGHFULG-UHFFFAOYSA-N
XLogP2.53
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazole-4-carboxylic acid
CID 115543574
1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid
CID 106149250
1-pentan-3-ylbenzimidazole-4-carboxylic acid
CID 115542982
1-[(1-methylcyclobutyl)methyl]benzimidazole-4-carboxylic acid
CID 114109191
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543314
1-(5-amino-5-oxopentyl)benzimidazole-4-carboxylic acid
CID 114162760
1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzimidazole-4-carboxylic acid
CID 115543869
1-[[2-(hydroxymethyl)cyclohexyl]methyl]benzimidazole-4-carboxylic acid
CID 115543824
1-[(1-methylimidazol-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid (CID 106116847) is 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid is CCCC(CCO)Cn1cnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid?
The InChIKey is GLXKXYXDGHFULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-4-11(7-8-18)9-17-10-16-14-12(15(19)20)5-3-6-13(14)17/h3,5-6,10-11,18H,2,4,7-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid?
1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 106116847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).