2,7-diphenyl-1,4-diazepan-5-one

C17H18N2O — CID 10264918

IUPAC2,7-diphenyl-1,4-diazepan-5-one
SMILESO=C1CC(c2ccccc2)NC(c2ccccc2)CN1
InChIInChI=1S/C17H18N2O/c20-17-11-15(13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H,18,20)
InChIKeyHXCFNDCBTPQSCI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.58
Rot. Bonds2

About 2,7-diphenyl-1,4-diazepan-5-one

2,7-diphenyl-1,4-diazepan-5-one (PubChem CID 10264918) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,7-diphenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name2,7-diphenyl-1,4-diazepan-5-one
PubChem CID10264918
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2,7-diphenyl-1,4-diazepan-5-one
SMILESO=C1CC(c2ccccc2)NC(c2ccccc2)CN1
InChIInChI=1S/C17H18N2O/c20-17-11-15(13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H,18,20)
InChIKeyHXCFNDCBTPQSCI-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-1,4-diazepan-5-one?
The IUPAC name of 2,7-diphenyl-1,4-diazepan-5-one (CID 10264918) is 2,7-diphenyl-1,4-diazepan-5-one.
What is the SMILES notation for 2,7-diphenyl-1,4-diazepan-5-one?
The canonical SMILES for 2,7-diphenyl-1,4-diazepan-5-one is O=C1CC(c2ccccc2)NC(c2ccccc2)CN1.
What is the InChIKey of 2,7-diphenyl-1,4-diazepan-5-one?
The InChIKey is HXCFNDCBTPQSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-11-15(13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H,18,20).
What are the key properties of 2,7-diphenyl-1,4-diazepan-5-one?
2,7-diphenyl-1,4-diazepan-5-one has a molecular weight of 266.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-1,4-diazepan-5-one is sourced from PubChem (CID 10264918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).