N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine

C17H15N3 — CID 100818883

IUPACN-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine
SMILESC/N=C1\N=C2c3ccccc3CN2Cc2ccccc21
InChIInChI=1S/C17H15N3/c1-18-16-14-8-4-2-6-12(14)10-20-11-13-7-3-5-9-15(13)17(20)19-16/h2-9H,10-11H2,1H3/b18-16-
InChIKeyMJWMUFVZNHKNJL-VLGSPTGOSA-N
MW261.33 g/mol
LogP2.84
Rot. Bonds

About N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine

N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine (PubChem CID 100818883) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine.

Molecular Properties

Compound NameN-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine
PubChem CID100818883
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC NameN-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine
SMILESC/N=C1\N=C2c3ccccc3CN2Cc2ccccc21
InChIInChI=1S/C17H15N3/c1-18-16-14-8-4-2-6-12(14)10-20-11-13-7-3-5-9-15(13)17(20)19-16/h2-9H,10-11H2,1H3/b18-16-
InChIKeyMJWMUFVZNHKNJL-VLGSPTGOSA-N
XLogP2.84
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine?
The IUPAC name of N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine (CID 100818883) is N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine.
What is the SMILES notation for N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine?
The canonical SMILES for N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine is C/N=C1\N=C2c3ccccc3CN2Cc2ccccc21.
What is the InChIKey of N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine?
The InChIKey is MJWMUFVZNHKNJL-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H15N3/c1-18-16-14-8-4-2-6-12(14)10-20-11-13-7-3-5-9-15(13)17(20)19-16/h2-9H,10-11H2,1H3/b18-16-.
What are the key properties of N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine?
N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine has a molecular weight of 261.33 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine is sourced from PubChem (CID 100818883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).