ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate

C15H17N3O2S — CID 103097479

IUPACethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccc(CC)s3)nc2n1C
InChIInChI=1S/C15H17N3O2S/c1-4-10-6-7-13(21-10)11-8-18-9-12(14(19)20-5-2)17(3)15(18)16-11/h6-9H,4-5H2,1-3H3
InChIKeyVNCJEZBGJACBEU-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.14
Rot. Bonds4

About ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate

ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate (PubChem CID 103097479) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate
PubChem CID103097479
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Nameethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccc(CC)s3)nc2n1C
InChIInChI=1S/C15H17N3O2S/c1-4-10-6-7-13(21-10)11-8-18-9-12(14(19)20-5-2)17(3)15(18)16-11/h6-9H,4-5H2,1-3H3
InChIKeyVNCJEZBGJACBEU-UHFFFAOYSA-N
XLogP3.14
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate?
The IUPAC name of ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate (CID 103097479) is ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate.
What is the SMILES notation for ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate?
The canonical SMILES for ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate is CCOC(=O)c1cn2cc(-c3ccc(CC)s3)nc2n1C.
What is the InChIKey of ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate?
The InChIKey is VNCJEZBGJACBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-4-10-6-7-13(21-10)11-8-18-9-12(14(19)20-5-2)17(3)15(18)16-11/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate?
ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate is sourced from PubChem (CID 103097479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).