7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine

C22H18ClN3 — CID 136773346

IUPAC7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
SMILESCc1ccccc1/N=C1\CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C22H18ClN3/c1-15-7-5-6-10-19(15)25-21-14-24-22(16-8-3-2-4-9-16)18-13-17(23)11-12-20(18)26-21/h2-13H,14H2,1H3,(H,25,26)
InChIKeyLLDMTFSXWIVTCU-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.64
Rot. Bonds2

About 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine

7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine (PubChem CID 136773346) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine.

Molecular Properties

Compound Name7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
PubChem CID136773346
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC Name7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
SMILESCc1ccccc1/N=C1\CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C22H18ClN3/c1-15-7-5-6-10-19(15)25-21-14-24-22(16-8-3-2-4-9-16)18-13-17(23)11-12-20(18)26-21/h2-13H,14H2,1H3,(H,25,26)
InChIKeyLLDMTFSXWIVTCU-UHFFFAOYSA-N
XLogP5.64
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine 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

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 137079379
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrate;hydrochloride
CID 135920956
N-but-3-yn-2-yl-7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 135784022
7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12522161
(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3032960
7-chloro-3-cyclopropyl-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139414026
7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69019508
(7-chloro-5-phenyl-1H-1,4-benzodiazepin-2-yl)methanol
CID 118572805
1-acetyl-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570847
(3S)-7-chloro-5-phenyl-3-propyl-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139414044

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The IUPAC name of 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine (CID 136773346) is 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine.
What is the SMILES notation for 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The canonical SMILES for 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine is Cc1ccccc1/N=C1\CN=C(c2ccccc2)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The InChIKey is LLDMTFSXWIVTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3/c1-15-7-5-6-10-19(15)25-21-14-24-22(16-8-3-2-4-9-16)18-13-17(23)11-12-20(18)26-21/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine has a molecular weight of 359.86 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine is sourced from PubChem (CID 136773346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).