(2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine

C23H18Cl2N2 — CID 7338116

IUPAC(2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
SMILESClc1ccc(/C=C\C2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H18Cl2N2/c24-18-10-5-16(6-11-18)7-14-20-15-23(17-8-12-19(25)13-9-17)27-22-4-2-1-3-21(22)26-20/h1-14,23,27H,15H2/b14-7-/t23-/m1/s1
InChIKeyRZJGDKDDWWZMGQ-SHRUJXPDSA-N
MW393.32 g/mol
LogP7.34
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine

(2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 7338116) has the molecular formula C23H18Cl2N2 and a molecular weight of 393.32 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID7338116
Molecular FormulaC23H18Cl2N2
Molecular Weight393.32 g/mol
Exact Mass392.08
IUPAC Name(2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
SMILESClc1ccc(/C=C\C2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H18Cl2N2/c24-18-10-5-16(6-11-18)7-14-20-15-23(17-8-12-19(25)13-9-17)27-22-4-2-1-3-21(22)26-20/h1-14,23,27H,15H2/b14-7-/t23-/m1/s1
InChIKeyRZJGDKDDWWZMGQ-SHRUJXPDSA-N
XLogP7.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.32
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine (CID 7338116) is (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine is Clc1ccc(/C=C\C2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is RZJGDKDDWWZMGQ-SHRUJXPDSA-N. The full InChI is InChI=1S/C23H18Cl2N2/c24-18-10-5-16(6-11-18)7-14-20-15-23(17-8-12-19(25)13-9-17)27-22-4-2-1-3-21(22)26-20/h1-14,23,27H,15H2/b14-7-/t23-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine?
(2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 393.32 g/mol, XLogP of 7.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 7338116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).