3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine

C21H17N3O2 — CID 162668330

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1cccc(-c2cn3c(-c4ccc5c(c4)CCO5)cnc3cn2)c1
InChIInChI=1S/C21H17N3O2/c1-25-17-4-2-3-14(10-17)18-13-24-19(11-23-21(24)12-22-18)15-5-6-20-16(9-15)7-8-26-20/h2-6,9-13H,7-8H2,1H3
InChIKeyBWQGSVHKKQWFFX-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.01
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine

3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine (PubChem CID 162668330) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
PubChem CID162668330
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1cccc(-c2cn3c(-c4ccc5c(c4)CCO5)cnc3cn2)c1
InChIInChI=1S/C21H17N3O2/c1-25-17-4-2-3-14(10-17)18-13-24-19(11-23-21(24)12-22-18)15-5-6-20-16(9-15)7-8-26-20/h2-6,9-13H,7-8H2,1H3
InChIKeyBWQGSVHKKQWFFX-UHFFFAOYSA-N
XLogP4.01
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine (CID 162668330) is 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine is COc1cccc(-c2cn3c(-c4ccc5c(c4)CCO5)cnc3cn2)c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is BWQGSVHKKQWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-25-17-4-2-3-14(10-17)18-13-24-19(11-23-21(24)12-22-18)15-5-6-20-16(9-15)7-8-26-20/h2-6,9-13H,7-8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine?
3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 343.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 162668330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).