2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid

C15H20N2O3 — CID 66107371

IUPAC2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1CC(C)CCO
InChIInChI=1S/C15H20N2O3/c1-3-14-16-12-8-11(15(19)20)4-5-13(12)17(14)9-10(2)6-7-18/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeySXZYOPSJEHBHGR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.32
Rot. Bonds6

About 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid

2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid (PubChem CID 66107371) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
PubChem CID66107371
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1CC(C)CCO
InChIInChI=1S/C15H20N2O3/c1-3-14-16-12-8-11(15(19)20)4-5-13(12)17(14)9-10(2)6-7-18/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeySXZYOPSJEHBHGR-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 66107156
2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
CID 106162400
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
1-(4-hydroxybutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 83187971
2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 114101513
1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106116846
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
2-ethyl-1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62117854
2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
CID 61460804
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63246728
2-ethyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 63295630

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid (CID 66107371) is 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1CC(C)CCO.
What is the InChIKey of 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid?
The InChIKey is SXZYOPSJEHBHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-14-16-12-8-11(15(19)20)4-5-13(12)17(14)9-10(2)6-7-18/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid?
2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 66107371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).