3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine

C23H22N2 — CID 14978261

IUPAC3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine
SMILESCN1Cc2ccccc2C(c2ccccc2)N=C1Cc1ccccc1
InChIInChI=1S/C23H22N2/c1-25-17-20-14-8-9-15-21(20)23(19-12-6-3-7-13-19)24-22(25)16-18-10-4-2-5-11-18/h2-15,23H,16-17H2,1H3
InChIKeyZIZAEFIRLRRQFJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.86
Rot. Bonds3

About 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine

3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine (PubChem CID 14978261) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine.

Molecular Properties

Compound Name3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine
PubChem CID14978261
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine
SMILESCN1Cc2ccccc2C(c2ccccc2)N=C1Cc1ccccc1
InChIInChI=1S/C23H22N2/c1-25-17-20-14-8-9-15-21(20)23(19-12-6-3-7-13-19)24-22(25)16-18-10-4-2-5-11-18/h2-15,23H,16-17H2,1H3
InChIKeyZIZAEFIRLRRQFJ-UHFFFAOYSA-N
XLogP4.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine?
The IUPAC name of 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine (CID 14978261) is 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine.
What is the SMILES notation for 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine?
The canonical SMILES for 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine is CN1Cc2ccccc2C(c2ccccc2)N=C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine?
The InChIKey is ZIZAEFIRLRRQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-25-17-20-14-8-9-15-21(20)23(19-12-6-3-7-13-19)24-22(25)16-18-10-4-2-5-11-18/h2-15,23H,16-17H2,1H3.
What are the key properties of 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine?
3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine has a molecular weight of 326.44 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine is sourced from PubChem (CID 14978261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).