3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine

C20H24N2 — CID 14978294

IUPAC3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine
SMILESCCC1=NC(CC)(c2ccccc2)c2ccccc2CN1C
InChIInChI=1S/C20H24N2/c1-4-19-21-20(5-2,17-12-7-6-8-13-17)18-14-10-9-11-16(18)15-22(19)3/h6-14H,4-5,15H2,1-3H3
InChIKeyZOZQNZQTFWPDPP-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.59
Rot. Bonds3

About 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine

3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine (PubChem CID 14978294) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine.

Molecular Properties

Compound Name3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine
PubChem CID14978294
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine
SMILESCCC1=NC(CC)(c2ccccc2)c2ccccc2CN1C
InChIInChI=1S/C20H24N2/c1-4-19-21-20(5-2,17-12-7-6-8-13-17)18-14-10-9-11-16(18)15-22(19)3/h6-14H,4-5,15H2,1-3H3
InChIKeyZOZQNZQTFWPDPP-UHFFFAOYSA-N
XLogP4.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine?
The IUPAC name of 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine (CID 14978294) is 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine.
What is the SMILES notation for 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine?
The canonical SMILES for 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine is CCC1=NC(CC)(c2ccccc2)c2ccccc2CN1C.
What is the InChIKey of 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine?
The InChIKey is ZOZQNZQTFWPDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-4-19-21-20(5-2,17-12-7-6-8-13-17)18-14-10-9-11-16(18)15-22(19)3/h6-14H,4-5,15H2,1-3H3.
What are the key properties of 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine?
3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine has a molecular weight of 292.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-methyl-5-phenyl-1H-2,4-benzodiazepine is sourced from PubChem (CID 14978294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).