[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C19H21N3O3 — CID 118740862

IUPAC[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCOCc1cnc2n1CCN(C(=O)c1oc3ccccc3c1C)C2C
InChIInChI=1S/C19H21N3O3/c1-12-15-6-4-5-7-16(15)25-17(12)19(23)21-8-9-22-14(11-24-3)10-20-18(22)13(21)2/h4-7,10,13H,8-9,11H2,1-3H3
InChIKeyJEMIWVPJHGWDOE-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.30
Rot. Bonds3

About [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 118740862) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID118740862
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCOCc1cnc2n1CCN(C(=O)c1oc3ccccc3c1C)C2C
InChIInChI=1S/C19H21N3O3/c1-12-15-6-4-5-7-16(15)25-17(12)19(23)21-8-9-22-14(11-24-3)10-20-18(22)13(21)2/h4-7,10,13H,8-9,11H2,1-3H3
InChIKeyJEMIWVPJHGWDOE-UHFFFAOYSA-N
XLogP3.30
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 118740862) is [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone is COCc1cnc2n1CCN(C(=O)c1oc3ccccc3c1C)C2C.
What is the InChIKey of [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is JEMIWVPJHGWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-15-6-4-5-7-16(15)25-17(12)19(23)21-8-9-22-14(11-24-3)10-20-18(22)13(21)2/h4-7,10,13H,8-9,11H2,1-3H3.
What are the key properties of [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 118740862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).