bis(1H-1,5-benzodiazepin-2-yl)methanone

C19H14N4O — CID 174805429

IUPACbis(1H-1,5-benzodiazepin-2-yl)methanone
SMILESO=C(C1=CC=Nc2ccccc2N1)C1=CC=Nc2ccccc2N1
InChIInChI=1S/C19H14N4O/c24-19(17-9-11-20-13-5-1-3-7-15(13)22-17)18-10-12-21-14-6-2-4-8-16(14)23-18/h1-12,22-23H
InChIKeyQYSYVQYMNFNQNR-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.98
Rot. Bonds2

About bis(1H-1,5-benzodiazepin-2-yl)methanone

bis(1H-1,5-benzodiazepin-2-yl)methanone (PubChem CID 174805429) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is bis(1H-1,5-benzodiazepin-2-yl)methanone.

Molecular Properties

Compound Namebis(1H-1,5-benzodiazepin-2-yl)methanone
PubChem CID174805429
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Namebis(1H-1,5-benzodiazepin-2-yl)methanone
SMILESO=C(C1=CC=Nc2ccccc2N1)C1=CC=Nc2ccccc2N1
InChIInChI=1S/C19H14N4O/c24-19(17-9-11-20-13-5-1-3-7-15(13)22-17)18-10-12-21-14-6-2-4-8-16(14)23-18/h1-12,22-23H
InChIKeyQYSYVQYMNFNQNR-UHFFFAOYSA-N
XLogP3.98
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1H-1,5-benzodiazepin-2-yl)methanone?
The IUPAC name of bis(1H-1,5-benzodiazepin-2-yl)methanone (CID 174805429) is bis(1H-1,5-benzodiazepin-2-yl)methanone.
What is the SMILES notation for bis(1H-1,5-benzodiazepin-2-yl)methanone?
The canonical SMILES for bis(1H-1,5-benzodiazepin-2-yl)methanone is O=C(C1=CC=Nc2ccccc2N1)C1=CC=Nc2ccccc2N1.
What is the InChIKey of bis(1H-1,5-benzodiazepin-2-yl)methanone?
The InChIKey is QYSYVQYMNFNQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(17-9-11-20-13-5-1-3-7-15(13)22-17)18-10-12-21-14-6-2-4-8-16(14)23-18/h1-12,22-23H.
What are the key properties of bis(1H-1,5-benzodiazepin-2-yl)methanone?
bis(1H-1,5-benzodiazepin-2-yl)methanone has a molecular weight of 314.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-1,5-benzodiazepin-2-yl)methanone is sourced from PubChem (CID 174805429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).