4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

C21H20N2 — CID 54316165

IUPAC4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESc1ccc(C2CCNc3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-3-9-17(10-4-1)20-15-16-22-19-13-7-8-14-21(19)23(20)18-11-5-2-6-12-18/h1-14,20,22H,15-16H2
InChIKeySOIFVIHHTSSIAO-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.38
Rot. Bonds2

About 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine (PubChem CID 54316165) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
PubChem CID54316165
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESc1ccc(C2CCNc3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-3-9-17(10-4-1)20-15-16-22-19-13-7-8-14-21(19)23(20)18-11-5-2-6-12-18/h1-14,20,22H,15-16H2
InChIKeySOIFVIHHTSSIAO-UHFFFAOYSA-N
XLogP5.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21398511
4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
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2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline
CID 21398471
6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-2,4-dipyridin-2-yl-1,2,4,5-tetrazinan-3-one
CID 59736249
4-cyclopentyl-2,3-dihydro-1H-quinoxaline
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CID 117030843
2,3-diphenyl-1,2-dihydrobenzo[e]indole
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2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841086
4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 105470427
cyclopropyl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 64851401

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine (CID 54316165) is 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine is c1ccc(C2CCNc3ccccc3N2c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The InChIKey is SOIFVIHHTSSIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-3-9-17(10-4-1)20-15-16-22-19-13-7-8-14-21(19)23(20)18-11-5-2-6-12-18/h1-14,20,22H,15-16H2.
What are the key properties of 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine has a molecular weight of 300.41 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 54316165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).