6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine

C20H18BrN3O — CID 18183223

IUPAC6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine
SMILESCOc1ccc2c(c1)C(c1ccc(Br)cc1)=Nn1c(nc(C)c1C)C2
InChIInChI=1S/C20H18BrN3O/c1-12-13(2)24-19(22-12)10-15-6-9-17(25-3)11-18(15)20(23-24)14-4-7-16(21)8-5-14/h4-9,11H,10H2,1-3H3
InChIKeyRITWJWHDBRYHLT-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.48
Rot. Bonds2

About 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine

6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine (PubChem CID 18183223) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine.

Molecular Properties

Compound Name6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine
PubChem CID18183223
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine
SMILESCOc1ccc2c(c1)C(c1ccc(Br)cc1)=Nn1c(nc(C)c1C)C2
InChIInChI=1S/C20H18BrN3O/c1-12-13(2)24-19(22-12)10-15-6-9-17(25-3)11-18(15)20(23-24)14-4-7-16(21)8-5-14/h4-9,11H,10H2,1-3H3
InChIKeyRITWJWHDBRYHLT-UHFFFAOYSA-N
XLogP4.48
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine?
The IUPAC name of 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine (CID 18183223) is 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine.
What is the SMILES notation for 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine?
The canonical SMILES for 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine is COc1ccc2c(c1)C(c1ccc(Br)cc1)=Nn1c(nc(C)c1C)C2.
What is the InChIKey of 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine?
The InChIKey is RITWJWHDBRYHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-12-13(2)24-19(22-12)10-15-6-9-17(25-3)11-18(15)20(23-24)14-4-7-16(21)8-5-14/h4-9,11H,10H2,1-3H3.
What are the key properties of 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine?
6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine has a molecular weight of 396.29 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-8-methoxy-2,3-dimethyl-11H-imidazo[1,2-c][2,3]benzodiazepine is sourced from PubChem (CID 18183223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).