6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

C15H21N3O2 — CID 118743716

IUPAC6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCCOCC1CN(Cc2ccco2)Cc2nccn2C1
InChIInChI=1S/C15H21N3O2/c1-2-19-12-13-8-17(10-14-4-3-7-20-14)11-15-16-5-6-18(15)9-13/h3-7,13H,2,8-12H2,1H3
InChIKeyYKZHYZCDSUQDQM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.14
Rot. Bonds5

About 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 118743716) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
PubChem CID118743716
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCCOCC1CN(Cc2ccco2)Cc2nccn2C1
InChIInChI=1S/C15H21N3O2/c1-2-19-12-13-8-17(10-14-4-3-7-20-14)11-15-16-5-6-18(15)9-13/h3-7,13H,2,8-12H2,1H3
InChIKeyYKZHYZCDSUQDQM-UHFFFAOYSA-N
XLogP2.14
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The IUPAC name of 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 118743716) is 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The canonical SMILES for 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is CCOCC1CN(Cc2ccco2)Cc2nccn2C1.
What is the InChIKey of 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The InChIKey is YKZHYZCDSUQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-19-12-13-8-17(10-14-4-3-7-20-14)11-15-16-5-6-18(15)9-13/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 275.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 118743716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).