2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine

C19H20N2 — CID 44563890

IUPAC2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine
SMILESCC1=CC=C(C=C1)C2=NCCCN=C2C3=CC=C(C=C3)C
InChIInChI=1S/C19H20N2/c1-14-4-8-16(9-5-14)18-19(21-13-3-12-20-18)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyZXLRGKSLGNJSIS-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.60
Rot. Bonds2

About 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine

2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine (PubChem CID 44563890) has the molecular formula C19H20N2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine
PubChem CID44563890
Molecular FormulaC19H20N2
Molecular Weight276.40 g/mol
Exact Mass276.16
IUPAC Name2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine
SMILESCC1=CC=C(C=C1)C2=NCCCN=C2C3=CC=C(C=C3)C
InChIInChI=1S/C19H20N2/c1-14-4-8-16(9-5-14)18-19(21-13-3-12-20-18)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyZXLRGKSLGNJSIS-UHFFFAOYSA-N
XLogP3.60
TPSA24.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity356

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(Diphenylmethylene)amino]acetonitrile
CID 612957
Para-tolualdehyde azine
CID 5337805
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
2,3-Dihydro-5,6-Diphenylpyrazine
CID 256218
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
2,2-Dimethyl-4,5-diphenyl-2h-imidazole
CID 247140
Cyanamide, (diphenylmethylene)-
CID 677486
Acetophenone azine
CID 5484329
Pyrazine, 2,3-dihydro-5,6-diphenyl-2-methyl-
CID 98291
Benzhydrylidene methylamine
CID 576539
(3Z,5E)-3,6-diphenyl-4,5-diazaocta-3,5-diene
CID 5894538

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine?
The IUPAC name of 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine (CID 44563890) is 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine.
What is the SMILES notation for 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine?
The canonical SMILES for 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine is CC1=CC=C(C=C1)C2=NCCCN=C2C3=CC=C(C=C3)C.
What is the InChIKey of 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine?
The InChIKey is ZXLRGKSLGNJSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-4-8-16(9-5-14)18-19(21-13-3-12-20-18)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine?
2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine has a molecular weight of 276.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine is sourced from PubChem (CID 44563890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).