ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate

C11H18N2O3 — CID 10609292

IUPACethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(C(C)O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-4-6-8-12-9(7(3)14)10(13-8)11(15)16-5-2/h7,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyQTNFAIHVDXEMAD-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.59
Rot. Bonds5

About ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate

ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate (PubChem CID 10609292) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate
PubChem CID10609292
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(C(C)O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-4-6-8-12-9(7(3)14)10(13-8)11(15)16-5-2/h7,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyQTNFAIHVDXEMAD-UHFFFAOYSA-N
XLogP1.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate (CID 10609292) is ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate is CCCc1nc(C(=O)OCC)c(C(C)O)[nH]1.
What is the InChIKey of ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate?
The InChIKey is QTNFAIHVDXEMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-6-8-12-9(7(3)14)10(13-8)11(15)16-5-2/h7,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate?
ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-hydroxyethyl)-2-propyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 10609292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).