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

C15H20N2O4 — CID 106162400

IUPAC2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1C(CCO)COC
InChIInChI=1S/C15H20N2O4/c1-3-14-16-12-8-10(15(19)20)4-5-13(12)17(14)11(6-7-18)9-21-2/h4-5,8,11,18H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyPJMAMRUFFCVBMY-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.87
Rot. Bonds7

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

2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 106162400) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
PubChem CID106162400
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1C(CCO)COC
InChIInChI=1S/C15H20N2O4/c1-3-14-16-12-8-10(15(19)20)4-5-13(12)17(14)11(6-7-18)9-21-2/h4-5,8,11,18H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyPJMAMRUFFCVBMY-UHFFFAOYSA-N
XLogP1.87
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid (CID 106162400) is 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1C(CCO)COC.
What is the InChIKey of 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is PJMAMRUFFCVBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-14-16-12-8-10(15(19)20)4-5-13(12)17(14)11(6-7-18)9-21-2/h4-5,8,11,18H,3,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid?
2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 106162400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).