2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine

C18H16N2O2 — CID 13223241

IUPAC2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccco2)CC(c2ccco2)=Nc2ccccc2N1
InChIInChI=1S/C18H16N2O2/c1-18(17-9-5-11-22-17)12-15(16-8-4-10-21-16)19-13-6-2-3-7-14(13)20-18/h2-11,20H,12H2,1H3
InChIKeyTVNQQMTYPYWRCA-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.72
Rot. Bonds2

About 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine

2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 13223241) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID13223241
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccco2)CC(c2ccco2)=Nc2ccccc2N1
InChIInChI=1S/C18H16N2O2/c1-18(17-9-5-11-22-17)12-15(16-8-4-10-21-16)19-13-6-2-3-7-14(13)20-18/h2-11,20H,12H2,1H3
InChIKeyTVNQQMTYPYWRCA-UHFFFAOYSA-N
XLogP4.72
TPSA50.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine (CID 13223241) is 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine is CC1(c2ccco2)CC(c2ccco2)=Nc2ccccc2N1.
What is the InChIKey of 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is TVNQQMTYPYWRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-18(17-9-5-11-22-17)12-15(16-8-4-10-21-16)19-13-6-2-3-7-14(13)20-18/h2-11,20H,12H2,1H3.
What are the key properties of 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 292.34 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 13223241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).