2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine

C22H20N2 — CID 14978260

IUPAC2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine
SMILESCN1Cc2ccccc2C(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C22H20N2/c1-24-16-19-14-8-9-15-20(19)21(17-10-4-2-5-11-17)23-22(24)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyWKEHLPNSFZPZMG-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.67
Rot. Bonds2

About 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine

2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine (PubChem CID 14978260) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine.

Molecular Properties

Compound Name2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine
PubChem CID14978260
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine
SMILESCN1Cc2ccccc2C(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C22H20N2/c1-24-16-19-14-8-9-15-20(19)21(17-10-4-2-5-11-17)23-22(24)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyWKEHLPNSFZPZMG-UHFFFAOYSA-N
XLogP4.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine?
The IUPAC name of 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine (CID 14978260) is 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine.
What is the SMILES notation for 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine?
The canonical SMILES for 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine is CN1Cc2ccccc2C(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine?
The InChIKey is WKEHLPNSFZPZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-24-16-19-14-8-9-15-20(19)21(17-10-4-2-5-11-17)23-22(24)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3.
What are the key properties of 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine?
2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine has a molecular weight of 312.42 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-diphenyl-1,5-dihydro-2,4-benzodiazepine is sourced from PubChem (CID 14978260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).