N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine

C17H17N3 — CID 137079379

IUPACN,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
SMILESC/N=C1\CN=C(c2ccccc2)c2cc(C)ccc2N1
InChIInChI=1S/C17H17N3/c1-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)19-11-16(18-2)20-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyDGOHOKNTNORROZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.29
Rot. Bonds1

About N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine

N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine (PubChem CID 137079379) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine.

Molecular Properties

Compound NameN,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
PubChem CID137079379
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
SMILESC/N=C1\CN=C(c2ccccc2)c2cc(C)ccc2N1
InChIInChI=1S/C17H17N3/c1-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)19-11-16(18-2)20-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyDGOHOKNTNORROZ-UHFFFAOYSA-N
XLogP3.29
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(2-methylphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 136773346
N-but-3-yn-2-yl-7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 135784022
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
7-ethyl-5-(2-fluorophenyl)-N-methyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 135721031
7-ethynyl-5-(2-fluorophenyl)-N-methyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 136600123
7-fluoro-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161006111
3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 5089261
7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 59966583
5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67474800
7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275338
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
(3E)-3-benzylidene-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 135800941

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The IUPAC name of N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine (CID 137079379) is N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine.
What is the SMILES notation for N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The canonical SMILES for N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine is C/N=C1\CN=C(c2ccccc2)c2cc(C)ccc2N1.
What is the InChIKey of N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The InChIKey is DGOHOKNTNORROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)19-11-16(18-2)20-15/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine has a molecular weight of 263.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine is sourced from PubChem (CID 137079379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).