2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid

C9H18N2O3 — CID 175446864

IUPAC2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid
SMILESCCC(=O)O.CN1C=CN(CCO)C1
InChIInChI=1S/C6H12N2O.C3H6O2/c1-7-2-3-8(6-7)4-5-9;1-2-3(4)5/h2-3,9H,4-6H2,1H3;2H2,1H3,(H,4,5)
InChIKeyOUDYNJVMSJQWMW-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid

2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid (PubChem CID 175446864) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid
PubChem CID175446864
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid
SMILESCCC(=O)O.CN1C=CN(CCO)C1
InChIInChI=1S/C6H12N2O.C3H6O2/c1-7-2-3-8(6-7)4-5-9;1-2-3(4)5/h2-3,9H,4-6H2,1H3;2H2,1H3,(H,4,5)
InChIKeyOUDYNJVMSJQWMW-UHFFFAOYSA-N
XLogP0.14
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid (CID 175446864) is 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid is CCC(=O)O.CN1C=CN(CCO)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid?
The InChIKey is OUDYNJVMSJQWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C3H6O2/c1-7-2-3-8(6-7)4-5-9;1-2-3(4)5/h2-3,9H,4-6H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid?
2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid is sourced from PubChem (CID 175446864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).