ethyl 4,5-dihydro-1H-imidazole-5-carboxylate

C6H10N2O2 — CID 70396567

IUPACethyl 4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCCOC(=O)C1CN=CN1
InChIInChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-7-4-8-5/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyFEPHIQMXSUOTCR-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.45
Rot. Bonds2

About ethyl 4,5-dihydro-1H-imidazole-5-carboxylate

ethyl 4,5-dihydro-1H-imidazole-5-carboxylate (PubChem CID 70396567) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is ethyl 4,5-dihydro-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dihydro-1H-imidazole-5-carboxylate
PubChem CID70396567
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nameethyl 4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCCOC(=O)C1CN=CN1
InChIInChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-7-4-8-5/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyFEPHIQMXSUOTCR-UHFFFAOYSA-N
XLogP-0.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4,5-dihydro-1H-imidazole-5-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 4,5-dihydro-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4,5-dihydro-1H-imidazole-5-carboxylate (CID 70396567) is ethyl 4,5-dihydro-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4,5-dihydro-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4,5-dihydro-1H-imidazole-5-carboxylate is CCOC(=O)C1CN=CN1.
What is the InChIKey of ethyl 4,5-dihydro-1H-imidazole-5-carboxylate?
The InChIKey is FEPHIQMXSUOTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-7-4-8-5/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of ethyl 4,5-dihydro-1H-imidazole-5-carboxylate?
ethyl 4,5-dihydro-1H-imidazole-5-carboxylate has a molecular weight of 142.16 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dihydro-1H-imidazole-5-carboxylate is sourced from PubChem (CID 70396567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).