7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine

C21H17ClN2 — CID 11067572

IUPAC7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESClc1ccc2c(c1)N=C(c1ccccc1)CC(c1ccccc1)N2
InChIInChI=1S/C21H17ClN2/c22-17-11-12-18-21(13-17)24-20(16-9-5-2-6-10-16)14-19(23-18)15-7-3-1-4-8-15/h1-13,19,23H,14H2
InChIKeyPVRBQRNDBGDPRD-UHFFFAOYSA-N
MW332.83 g/mol
LogP6.02
Rot. Bonds2

About 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine

7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 11067572) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID11067572
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESClc1ccc2c(c1)N=C(c1ccccc1)CC(c1ccccc1)N2
InChIInChI=1S/C21H17ClN2/c22-17-11-12-18-21(13-17)24-20(16-9-5-2-6-10-16)14-19(23-18)15-7-3-1-4-8-15/h1-13,19,23H,14H2
InChIKeyPVRBQRNDBGDPRD-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 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine (CID 11067572) is 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine is Clc1ccc2c(c1)N=C(c1ccccc1)CC(c1ccccc1)N2.
What is the InChIKey of 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is PVRBQRNDBGDPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c22-17-11-12-18-21(13-17)24-20(16-9-5-2-6-10-16)14-19(23-18)15-7-3-1-4-8-15/h1-13,19,23H,14H2.
What are the key properties of 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine?
7-chloro-2,4-diphenyl-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 7-chloro-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 11067572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).