(4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine

C19H21BrN2O2 — CID 118310736

IUPAC(4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NN(C)[C@H](C)C2
InChIInChI=1S/C19H21BrN2O2/c1-12-9-14-10-17(23-3)18(24-4)11-16(14)19(21-22(12)2)13-5-7-15(20)8-6-13/h5-8,10-12H,9H2,1-4H3/t12-/m1/s1
InChIKeyWSRNAHOBTSRDLQ-GFCCVEGCSA-N
MW389.29 g/mol
LogP4.10
Rot. Bonds3

About (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine

(4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine (PubChem CID 118310736) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine.

Molecular Properties

Compound Name(4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine
PubChem CID118310736
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name(4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NN(C)[C@H](C)C2
InChIInChI=1S/C19H21BrN2O2/c1-12-9-14-10-17(23-3)18(24-4)11-16(14)19(21-22(12)2)13-5-7-15(20)8-6-13/h5-8,10-12H,9H2,1-4H3/t12-/m1/s1
InChIKeyWSRNAHOBTSRDLQ-GFCCVEGCSA-N
XLogP4.10
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine?
The IUPAC name of (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine (CID 118310736) is (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine.
What is the SMILES notation for (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine?
The canonical SMILES for (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine is COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NN(C)[C@H](C)C2.
What is the InChIKey of (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine?
The InChIKey is WSRNAHOBTSRDLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-9-14-10-17(23-3)18(24-4)11-16(14)19(21-22(12)2)13-5-7-15(20)8-6-13/h5-8,10-12H,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine?
(4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine has a molecular weight of 389.29 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine is sourced from PubChem (CID 118310736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).