5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

C24H22N4O — CID 51360927

IUPAC5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCOc1ccc(CN2Cc3cc(-c4ccccc4)ccc3-n3nncc3C2)cc1
InChIInChI=1S/C24H22N4O/c1-29-23-10-7-18(8-11-23)15-27-16-21-13-20(19-5-3-2-4-6-19)9-12-24(21)28-22(17-27)14-25-26-28/h2-14H,15-17H2,1H3
InChIKeyVIWDAWOBBREQTG-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.46
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (PubChem CID 51360927) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
PubChem CID51360927
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCOc1ccc(CN2Cc3cc(-c4ccccc4)ccc3-n3nncc3C2)cc1
InChIInChI=1S/C24H22N4O/c1-29-23-10-7-18(8-11-23)15-27-16-21-13-20(19-5-3-2-4-6-19)9-12-24(21)28-22(17-27)14-25-26-28/h2-14H,15-17H2,1H3
InChIKeyVIWDAWOBBREQTG-UHFFFAOYSA-N
XLogP4.46
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]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 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (CID 51360927) is 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is COc1ccc(CN2Cc3cc(-c4ccccc4)ccc3-n3nncc3C2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is VIWDAWOBBREQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-29-23-10-7-18(8-11-23)15-27-16-21-13-20(19-5-3-2-4-6-19)9-12-24(21)28-22(17-27)14-25-26-28/h2-14H,15-17H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 382.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 51360927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).