8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

C18H13BrClN3 — CID 70880326

IUPAC8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESCc1ncc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C18H13BrClN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
InChIKeyRBYRHBRQKCTLBB-UHFFFAOYSA-N
MW386.68 g/mol
LogP4.95
Rot. Bonds1

About 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 70880326) has the molecular formula C18H13BrClN3 and a molecular weight of 386.68 g/mol. Its IUPAC name is 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
PubChem CID70880326
Molecular FormulaC18H13BrClN3
Molecular Weight386.68 g/mol
Exact Mass385.00
IUPAC Name8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESCc1ncc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C18H13BrClN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
InChIKeyRBYRHBRQKCTLBB-UHFFFAOYSA-N
XLogP4.95
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 70880326) is 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine is Cc1ncc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2.
What is the InChIKey of 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The InChIKey is RBYRHBRQKCTLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3.
What are the key properties of 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 386.68 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 70880326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).