ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

C15H13Cl2N3O3 — CID 11810355

IUPACethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2c(nc1=O)N(c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C15H13Cl2N3O3/c1-2-23-14(22)10-8-19-5-6-20(15(19)18-13(10)21)9-3-4-11(16)12(17)7-9/h3-4,7-8H,2,5-6H2,1H3
InChIKeyBAFCNDNWHFCKAU-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.88
Rot. Bonds3

About ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 11810355) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID11810355
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Nameethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2c(nc1=O)N(c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C15H13Cl2N3O3/c1-2-23-14(22)10-8-19-5-6-20(15(19)18-13(10)21)9-3-4-11(16)12(17)7-9/h3-4,7-8H,2,5-6H2,1H3
InChIKeyBAFCNDNWHFCKAU-UHFFFAOYSA-N
XLogP2.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11823208
ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11781096
ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate
CID 72696658
ethyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
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ethyl 1-(3,4-dichlorophenyl)-5-(difluoromethyl)pyrazole-4-carboxylate
CID 63235195
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2-(3,4-dichlorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
CID 23330093
ethyl 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341
ethyl 2-chloro-5-(1-oxa-6-azaspiro[2.5]octan-6-yl)benzoate
CID 118904901
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193
ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate
CID 22769971
ethyl 3-(3,4-dichlorophenyl)-5-methylimidazole-4-carboxylate
CID 69038701

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (CID 11810355) is ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cn2c(nc1=O)N(c1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is BAFCNDNWHFCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-2-23-14(22)10-8-19-5-6-20(15(19)18-13(10)21)9-3-4-11(16)12(17)7-9/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 354.19 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 11810355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).