ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate

C15H14ClN3O2 — CID 103097484

IUPACethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccc(Cl)cc3)nc2n1C
InChIInChI=1S/C15H14ClN3O2/c1-3-21-14(20)13-9-19-8-12(17-15(19)18(13)2)10-4-6-11(16)7-5-10/h4-9H,3H2,1-2H3
InChIKeyDBGKFCRYRKWSKQ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.17
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate

ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate (PubChem CID 103097484) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate
PubChem CID103097484
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Nameethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccc(Cl)cc3)nc2n1C
InChIInChI=1S/C15H14ClN3O2/c1-3-21-14(20)13-9-19-8-12(17-15(19)18(13)2)10-4-6-11(16)7-5-10/h4-9H,3H2,1-2H3
InChIKeyDBGKFCRYRKWSKQ-UHFFFAOYSA-N
XLogP3.17
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-ethylthiophen-2-yl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate
CID 103097479
ethyl 2-(4-chlorophenyl)-3-methylimidazole-4-carboxylate
CID 122476726
ethyl 2-butan-2-yl-7-methylimidazo[1,2-a]imidazole-6-carboxylate
CID 103097490
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
ethyl 2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 17079437
3-(4-chlorophenyl)-5-ethoxycarbonyl-N-hydroxy-1-methylpyrrol-2-amine oxide
CID 21142865
1-[4-(4-chlorophenyl)-1-ethylimidazol-2-yl]ethanone
CID 141478336
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 3-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylate
CID 82880077
ethyl 6-(4-chlorophenyl)cinnoline-3-carboxylate
CID 21432743
ethyl 2-[7-(4-chlorophenyl)-5-oxo-1-pentylimidazo[1,2-a]pyrimidin-2-yl]acetate
CID 144837765
ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 102130030

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate (CID 103097484) is ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate is CCOC(=O)c1cn2cc(-c3ccc(Cl)cc3)nc2n1C.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate?
The InChIKey is DBGKFCRYRKWSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-3-21-14(20)13-9-19-8-12(17-15(19)18(13)2)10-4-6-11(16)7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate?
ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate has a molecular weight of 303.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylate is sourced from PubChem (CID 103097484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).