4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

C15H14N2 — CID 2771646

IUPAC4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESc1ccc(C2=Nc3ccccc3NCC2)cc1
InChIInChI=1S/C15H14N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-9,16H,10-11H2
InChIKeyUWSMNBPALLFTAQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.62
Rot. Bonds1

About 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 2771646) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID2771646
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESc1ccc(C2=Nc3ccccc3NCC2)cc1
InChIInChI=1S/C15H14N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-9,16H,10-11H2
InChIKeyUWSMNBPALLFTAQ-UHFFFAOYSA-N
XLogP3.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588
1,3-Dihydro-4-phenyl-2H-1,5-benzodiazepin-2-one
CID 177746
Benzeneethanamine, N-phenyl-
CID 74443
1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl-
CID 613466
4-[(E)-2-phenylethenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
CID 754807
2,2-dimethyl-4-(2-phenylvinyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 5741699
2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 2728685
2-methyl-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 3786626
2H-1,5-Benzodiazepine-2-thione, 1,3-dihydro-4-phenyl-
CID 3032984
2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 3796273
1-allyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione
CID 9497609
1,2-Di(4-amidinophenylamino)ethane
CID 456157

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine (CID 2771646) is 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine is c1ccc(C2=Nc3ccccc3NCC2)cc1.
What is the InChIKey of 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is UWSMNBPALLFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-9,16H,10-11H2.
What are the key properties of 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 222.29 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 2771646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).