8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C16H23N3O2 — CID 97381696

IUPAC8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)OCc1ncn2c1CN(Cc1ccoc1)CCC2
InChIInChI=1S/C16H23N3O2/c1-13(2)21-11-15-16-9-18(8-14-4-7-20-10-14)5-3-6-19(16)12-17-15/h4,7,10,12-13H,3,5-6,8-9,11H2,1-2H3
InChIKeyMWXUWRZSDRSCAN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds5

About 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97381696) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97381696
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)OCc1ncn2c1CN(Cc1ccoc1)CCC2
InChIInChI=1S/C16H23N3O2/c1-13(2)21-11-15-16-9-18(8-14-4-7-20-10-14)5-3-6-19(16)12-17-15/h4,7,10,12-13H,3,5-6,8-9,11H2,1-2H3
InChIKeyMWXUWRZSDRSCAN-UHFFFAOYSA-N
XLogP2.81
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97381696) is 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is CC(C)OCc1ncn2c1CN(Cc1ccoc1)CCC2.
What is the InChIKey of 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is MWXUWRZSDRSCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)21-11-15-16-9-18(8-14-4-7-20-10-14)5-3-6-19(16)12-17-15/h4,7,10,12-13H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 289.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-ylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97381696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).