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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-1,5-benzodiazepine-2-carboxylic acid
CID 159959078
2-phenyl-1H-1,5-benzodiazepine
CID 28688803
acetaldehyde;2-methylidene-1H-quinoxaline
CID 142957624
methyl 1,2-dihydroquinoxaline-2-carboxylate
CID 141421271
2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid
CID 23160091
[(4E,15E)-15-benzoyl-3,5,14,16-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]-phenylmethanone
CID 11973138
1H-1,5-benzodiazepine;di(imidazol-1-yl)methanone
CID 157498302
2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one
CID 45491411
2-(1,2-dihydroquinoxalin-2-yl)acetic acid
CID 68738150
13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
CID 899296
2,4,11,13,20,22,29,31-octazapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene-3,12,21,30-tetrone
CID 10165611
2-(1H-quinoxalin-2-ylidene)acetonitrile
CID 131855235

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).