ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate

C14H15N3O3 — CID 56680099

IUPACethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate
SMILESCCOC(=O)CN1C2=NC(=O)C(C)N2c2ccccc21
InChIInChI=1S/C14H15N3O3/c1-3-20-12(18)8-16-10-6-4-5-7-11(10)17-9(2)13(19)15-14(16)17/h4-7,9H,3,8H2,1-2H3
InChIKeyGOUJPVFZZUEPAT-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.16
Rot. Bonds3

About ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate

ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate (PubChem CID 56680099) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate
PubChem CID56680099
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate
SMILESCCOC(=O)CN1C2=NC(=O)C(C)N2c2ccccc21
InChIInChI=1S/C14H15N3O3/c1-3-20-12(18)8-16-10-6-4-5-7-11(10)17-9(2)13(19)15-14(16)17/h4-7,9H,3,8H2,1-2H3
InChIKeyGOUJPVFZZUEPAT-UHFFFAOYSA-N
XLogP1.16
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate?
The IUPAC name of ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate (CID 56680099) is ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate is CCOC(=O)CN1C2=NC(=O)C(C)N2c2ccccc21.
What is the InChIKey of ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate?
The InChIKey is GOUJPVFZZUEPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-12(18)8-16-10-6-4-5-7-11(10)17-9(2)13(19)15-14(16)17/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate?
ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate has a molecular weight of 273.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate is sourced from PubChem (CID 56680099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).