1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine

C17H20N4 — CID 13339259

IUPAC1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine
SMILESCN(C)NC1=NCC(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C17H20N4/c1-21(2)20-17-18-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19-17/h3-11,15H,12H2,1-2H3,(H2,18,19,20)
InChIKeyRLCZGFZVFKRWQX-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.67
Rot. Bonds2

About 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine

1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine (PubChem CID 13339259) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine
PubChem CID13339259
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine
SMILESCN(C)NC1=NCC(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C17H20N4/c1-21(2)20-17-18-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19-17/h3-11,15H,12H2,1-2H3,(H2,18,19,20)
InChIKeyRLCZGFZVFKRWQX-UHFFFAOYSA-N
XLogP2.67
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine?
The IUPAC name of 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine (CID 13339259) is 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine?
The canonical SMILES for 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine is CN(C)NC1=NCC(c2ccccc2)c2ccccc2N1.
What is the InChIKey of 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine?
The InChIKey is RLCZGFZVFKRWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-21(2)20-17-18-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19-17/h3-11,15H,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine?
1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine has a molecular weight of 280.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)hydrazine is sourced from PubChem (CID 13339259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).