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

C24H24N2 — CID 4548171

IUPAC2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine
SMILESCc1ccc(C2=Nc3ccccc3NC(C)(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H24N2/c1-17-8-12-19(13-9-17)23-16-24(3,20-14-10-18(2)11-15-20)26-22-7-5-4-6-21(22)25-23/h4-15,26H,16H2,1-3H3
InChIKeyQVMWRNLGILSJKR-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.16
Rot. Bonds2

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

2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine (PubChem CID 4548171) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine
PubChem CID4548171
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine
SMILESCc1ccc(C2=Nc3ccccc3NC(C)(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H24N2/c1-17-8-12-19(13-9-17)23-16-24(3,20-14-10-18(2)11-15-20)26-22-7-5-4-6-21(22)25-23/h4-15,26H,16H2,1-3H3
InChIKeyQVMWRNLGILSJKR-UHFFFAOYSA-N
XLogP6.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine (CID 4548171) is 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine is Cc1ccc(C2=Nc3ccccc3NC(C)(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is QVMWRNLGILSJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-17-8-12-19(13-9-17)23-16-24(3,20-14-10-18(2)11-15-20)26-22-7-5-4-6-21(22)25-23/h4-15,26H,16H2,1-3H3.
What are the key properties of 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine?
2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 340.47 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 4548171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).