1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid

C15H20N2O3 — CID 106149250

IUPAC1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid
SMILESCC(C)(CCCO)Cn1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,7-4-8-18)9-17-10-16-13-11(14(19)20)5-3-6-12(13)17/h3,5-6,10,18H,4,7-9H2,1-2H3,(H,19,20)
InChIKeyOKTXIORLKNVXOP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.53
Rot. Bonds6

About 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid

1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid (PubChem CID 106149250) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid
PubChem CID106149250
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid
SMILESCC(C)(CCCO)Cn1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,7-4-8-18)9-17-10-16-13-11(14(19)20)5-3-6-12(13)17/h3,5-6,10,18H,4,7-9H2,1-2H3,(H,19,20)
InChIKeyOKTXIORLKNVXOP-UHFFFAOYSA-N
XLogP2.53
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-(5-amino-5-oxopentyl)benzimidazole-4-carboxylic acid
CID 114162760
1-[2-(2-hydroxyethyl)pentyl]benzimidazole-4-carboxylic acid
CID 106116847
1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543397
1-[(1-methylimidazol-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543615
1-[(1-methylcyclobutyl)methyl]benzimidazole-4-carboxylic acid
CID 114109191
1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
1-[[2-(hydroxymethyl)cyclohexyl]methyl]benzimidazole-4-carboxylic acid
CID 115543824
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazole-4-carboxylic acid
CID 115543574
1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543314

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid (CID 106149250) is 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid is CC(C)(CCCO)Cn1cnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid?
The InChIKey is OKTXIORLKNVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,7-4-8-18)9-17-10-16-13-11(14(19)20)5-3-6-12(13)17/h3,5-6,10,18H,4,7-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid?
1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2-dimethylpentyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 106149250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).