methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate

C7H12N2O2 — CID 69299892

IUPACmethyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCCC1=NCC(C(=O)OC)N1
InChIInChI=1S/C7H12N2O2/c1-3-6-8-4-5(9-6)7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyQALXGUQAFUPXPQ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.06
Rot. Bonds2

About methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate

methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate (PubChem CID 69299892) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate
PubChem CID69299892
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Namemethyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCCC1=NCC(C(=O)OC)N1
InChIInChI=1S/C7H12N2O2/c1-3-6-8-4-5(9-6)7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyQALXGUQAFUPXPQ-UHFFFAOYSA-N
XLogP-0.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-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 methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate (CID 69299892) is methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate is CCC1=NCC(C(=O)OC)N1.
What is the InChIKey of methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The InChIKey is QALXGUQAFUPXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-6-8-4-5(9-6)7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate?
methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate has a molecular weight of 156.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate is sourced from PubChem (CID 69299892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).