(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate

C20H19N3O3 — CID 75365187

IUPAC(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
SMILESCc1cc(C)n2cc(COC(=O)/C=C/c3ccc4c(c3)CCO4)nc2n1
InChIInChI=1S/C20H19N3O3/c1-13-9-14(2)23-11-17(22-20(23)21-13)12-26-19(24)6-4-15-3-5-18-16(10-15)7-8-25-18/h3-6,9-11H,7-8,12H2,1-2H3/b6-4+
InChIKeyKHTCQBKVFDMMIV-GQCTYLIASA-N
MW349.39 g/mol
LogP3.04
Rot. Bonds4

About (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate

(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate (PubChem CID 75365187) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate.

Molecular Properties

Compound Name(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
PubChem CID75365187
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
SMILESCc1cc(C)n2cc(COC(=O)/C=C/c3ccc4c(c3)CCO4)nc2n1
InChIInChI=1S/C20H19N3O3/c1-13-9-14(2)23-11-17(22-20(23)21-13)12-26-19(24)6-4-15-3-5-18-16(10-15)7-8-25-18/h3-6,9-11H,7-8,12H2,1-2H3/b6-4+
InChIKeyKHTCQBKVFDMMIV-GQCTYLIASA-N
XLogP3.04
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 112725026
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663221
2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 71897620
ethyl 2-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-oxobutanoate
CID 162719034
2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-methylamino]butanoic acid
CID 76930433
methyl 2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-ethylamino]acetate
CID 76899075
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 32775074
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 39539318
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115609965

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The IUPAC name of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate (CID 75365187) is (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate.
What is the SMILES notation for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The canonical SMILES for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate is Cc1cc(C)n2cc(COC(=O)/C=C/c3ccc4c(c3)CCO4)nc2n1.
What is the InChIKey of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The InChIKey is KHTCQBKVFDMMIV-GQCTYLIASA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-9-14(2)23-11-17(22-20(23)21-13)12-26-19(24)6-4-15-3-5-18-16(10-15)7-8-25-18/h3-6,9-11H,7-8,12H2,1-2H3/b6-4+.
What are the key properties of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate has a molecular weight of 349.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate is sourced from PubChem (CID 75365187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).