2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

C24H24N2O2 — CID 50888294

IUPAC2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESCCOc1ccc(C2CC(c3ccccc3)=Nc3ccccc3N2)cc1OC
InChIInChI=1S/C24H24N2O2/c1-3-28-23-14-13-18(15-24(23)27-2)22-16-21(17-9-5-4-6-10-17)25-19-11-7-8-12-20(19)26-22/h4-15,22,26H,3,16H2,1-2H3
InChIKeyZLLPQZSXHFXZNS-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.77
Rot. Bonds5

About 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 50888294) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID50888294
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESCCOc1ccc(C2CC(c3ccccc3)=Nc3ccccc3N2)cc1OC
InChIInChI=1S/C24H24N2O2/c1-3-28-23-14-13-18(15-24(23)27-2)22-16-21(17-9-5-4-6-10-17)25-19-11-7-8-12-20(19)26-22/h4-15,22,26H,3,16H2,1-2H3
InChIKeyZLLPQZSXHFXZNS-UHFFFAOYSA-N
XLogP5.77
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-4-(4-methoxyphenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 754108
5-[(2R)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 136762105
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
[5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-6-hydroxy-3-methyl-1-benzofuran-2-yl]-phenylmethanone
CID 135406586
(2S)-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 1358978
4-hydroxy-3-[(2S)-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-6-methylpyran-2-one
CID 136848950
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
4-chloro-2-(4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)-3H-1,5-benzodiazepine
CID 139216661
2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide
CID 110532677
(2R)-2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
CID 1185816
9-(4-ethoxy-3-methoxyphenyl)-6-pyridin-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17061718

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine (CID 50888294) is 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine is CCOc1ccc(C2CC(c3ccccc3)=Nc3ccccc3N2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is ZLLPQZSXHFXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-28-23-14-13-18(15-24(23)27-2)22-16-21(17-9-5-4-6-10-17)25-19-11-7-8-12-20(19)26-22/h4-15,22,26H,3,16H2,1-2H3.
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 372.47 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 50888294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).