7-chloro-5-phenyl-3H-1,4-benzodiazepine

C15H11ClN2 — CID 27855

IUPAC7-chloro-5-phenyl-3H-1,4-benzodiazepine
SMILESClc1ccc2c(c1)C(c1ccccc1)=NCC=N2
InChIInChI=1S/C15H11ClN2/c16-12-6-7-14-13(10-12)15(18-9-8-17-14)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyGIVYEEPCHMGCEK-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.89
Rot. Bonds1

About 7-chloro-5-phenyl-3H-1,4-benzodiazepine

7-chloro-5-phenyl-3H-1,4-benzodiazepine (PubChem CID 27855) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 7-chloro-5-phenyl-3H-1,4-benzodiazepine.

Molecular Properties

Compound Name7-chloro-5-phenyl-3H-1,4-benzodiazepine
PubChem CID27855
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name7-chloro-5-phenyl-3H-1,4-benzodiazepine
SMILESClc1ccc2c(c1)C(c1ccccc1)=NCC=N2
InChIInChI=1S/C15H11ClN2/c16-12-6-7-14-13(10-12)15(18-9-8-17-14)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyGIVYEEPCHMGCEK-UHFFFAOYSA-N
XLogP3.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-phenyl-3H-1,4-benzodiazepine?
The IUPAC name of 7-chloro-5-phenyl-3H-1,4-benzodiazepine (CID 27855) is 7-chloro-5-phenyl-3H-1,4-benzodiazepine.
What is the SMILES notation for 7-chloro-5-phenyl-3H-1,4-benzodiazepine?
The canonical SMILES for 7-chloro-5-phenyl-3H-1,4-benzodiazepine is Clc1ccc2c(c1)C(c1ccccc1)=NCC=N2.
What is the InChIKey of 7-chloro-5-phenyl-3H-1,4-benzodiazepine?
The InChIKey is GIVYEEPCHMGCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-12-6-7-14-13(10-12)15(18-9-8-17-14)11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 7-chloro-5-phenyl-3H-1,4-benzodiazepine?
7-chloro-5-phenyl-3H-1,4-benzodiazepine has a molecular weight of 254.72 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyl-3H-1,4-benzodiazepine is sourced from PubChem (CID 27855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).