1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid

C16H22N2O3 — CID 106116846

IUPAC1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid
SMILESCCCC(CCO)Cn1c(C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-3-4-12(7-8-19)10-18-11(2)17-14-9-13(16(20)21)5-6-15(14)18/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyCDOUBGLWZDJGPZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.84
Rot. Bonds7

About 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid

1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 106116846) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid
PubChem CID106116846
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid
SMILESCCCC(CCO)Cn1c(C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-3-4-12(7-8-19)10-18-11(2)17-14-9-13(16(20)21)5-6-15(14)18/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyCDOUBGLWZDJGPZ-UHFFFAOYSA-N
XLogP2.84
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 106352524
2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
CID 66107371
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
CID 43244294
1-(4-hydroxy-2-methylbutyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 66107156
2-methyl-1-prop-2-enylbenzimidazole-5-carboxylic acid
CID 83967706
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 79361798
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
2-methyl-1-octan-2-ylbenzimidazole-5-carboxylic acid
CID 63549544
1-(4-hydroxybutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 83187971
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid (CID 106116846) is 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid is CCCC(CCO)Cn1c(C)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is CDOUBGLWZDJGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-12(7-8-19)10-18-11(2)17-14-9-13(16(20)21)5-6-15(14)18/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid?
1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.84, 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]-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 106116846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).