2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine

C18H20N2 — CID 12909685

IUPAC2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine
SMILESCC1=Nc2ccccc2CC(c2ccc(C)cc2)N1C
InChIInChI=1S/C18H20N2/c1-13-8-10-15(11-9-13)18-12-16-6-4-5-7-17(16)19-14(2)20(18)3/h4-11,18H,12H2,1-3H3
InChIKeyJIWRFCGFTNJZTL-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.27
Rot. Bonds1

About 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine

2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12909685) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine
PubChem CID12909685
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine
SMILESCC1=Nc2ccccc2CC(c2ccc(C)cc2)N1C
InChIInChI=1S/C18H20N2/c1-13-8-10-15(11-9-13)18-12-16-6-4-5-7-17(16)19-14(2)20(18)3/h4-11,18H,12H2,1-3H3
InChIKeyJIWRFCGFTNJZTL-UHFFFAOYSA-N
XLogP4.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine (CID 12909685) is 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine is CC1=Nc2ccccc2CC(c2ccc(C)cc2)N1C.
What is the InChIKey of 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is JIWRFCGFTNJZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-8-10-15(11-9-13)18-12-16-6-4-5-7-17(16)19-14(2)20(18)3/h4-11,18H,12H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine?
2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 264.37 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12909685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).