8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine

C17H12ClN3 — CID 14357893

IUPAC8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine
SMILESClc1ccc2c(c1)C(c1ccccc1)=NCc1nccn1-2
InChIInChI=1S/C17H12ClN3/c18-13-6-7-15-14(10-13)17(12-4-2-1-3-5-12)20-11-16-19-8-9-21(15)16/h1-10H,11H2
InChIKeyYDWMIJIGNDPSCI-UHFFFAOYSA-N
MW293.76 g/mol
LogP3.88
Rot. Bonds1

About 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine

8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine (PubChem CID 14357893) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine
PubChem CID14357893
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine
SMILESClc1ccc2c(c1)C(c1ccccc1)=NCc1nccn1-2
InChIInChI=1S/C17H12ClN3/c18-13-6-7-15-14(10-13)17(12-4-2-1-3-5-12)20-11-16-19-8-9-21(15)16/h1-10H,11H2
InChIKeyYDWMIJIGNDPSCI-UHFFFAOYSA-N
XLogP3.88
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The IUPAC name of 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine (CID 14357893) is 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine.
What is the SMILES notation for 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The canonical SMILES for 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine is Clc1ccc2c(c1)C(c1ccccc1)=NCc1nccn1-2.
What is the InChIKey of 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The InChIKey is YDWMIJIGNDPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-13-6-7-15-14(10-13)17(12-4-2-1-3-5-12)20-11-16-19-8-9-21(15)16/h1-10H,11H2.
What are the key properties of 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine?
8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine has a molecular weight of 293.76 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine is sourced from PubChem (CID 14357893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).