2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

C21H17ClN2 — CID 3796273

IUPAC2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESClc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1
InChIInChI=1S/C21H17ClN2/c22-17-11-5-4-10-16(17)21-14-20(15-8-2-1-3-9-15)23-18-12-6-7-13-19(18)24-21/h1-13,21,24H,14H2
InChIKeyVHLSWCZDXQVULU-UHFFFAOYSA-N
MW332.83 g/mol
LogP6.02
Rot. Bonds2

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

2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 3796273) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID3796273
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESClc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1
InChIInChI=1S/C21H17ClN2/c22-17-11-5-4-10-16(17)21-14-20(15-8-2-1-3-9-15)23-18-12-6-7-13-19(18)24-21/h1-13,21,24H,14H2
InChIKeyVHLSWCZDXQVULU-UHFFFAOYSA-N
XLogP6.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine (CID 3796273) is 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine is Clc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1.
What is the InChIKey of 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is VHLSWCZDXQVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c22-17-11-5-4-10-16(17)21-14-20(15-8-2-1-3-9-15)23-18-12-6-7-13-19(18)24-21/h1-13,21,24H,14H2.
What are the key properties of 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 332.83 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 3796273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).