Skip to content

N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide

C28H34ClN5O2 — CID 123938030

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide
SMILESCc1nnc2n1-c1ccc(O)cc1C(c1ccc(Cl)cc1)=NC2NC(=O)C(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C28H34ClN5O2/c1-16(2)27(4,5)15-28(6,7)26(36)31-24-25-33-32-17(3)34(25)22-13-12-20(35)14-21(22)23(30-24)18-8-10-19(29)11-9-18/h8-14,16,24,35H,15H2,1-7H3,(H,31,36)
InChIKeyXFACWDLHDUSWJM-UHFFFAOYSA-N
MW508.07 g/mol
LogP6.00
Rot. Bonds6

About N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide

N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide (PubChem CID 123938030) has the molecular formula C28H34ClN5O2 and a molecular weight of 508.07 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide
PubChem CID123938030
Molecular FormulaC28H34ClN5O2
Molecular Weight508.07 g/mol
Exact Mass507.24
IUPAC NameN-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide
SMILESCc1nnc2n1-c1ccc(O)cc1C(c1ccc(Cl)cc1)=NC2NC(=O)C(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C28H34ClN5O2/c1-16(2)27(4,5)15-28(6,7)26(36)31-24-25-33-32-17(3)34(25)22-13-12-20(35)14-21(22)23(30-24)18-8-10-19(29)11-9-18/h8-14,16,24,35H,15H2,1-7H3,(H,31,36)
InChIKeyXFACWDLHDUSWJM-UHFFFAOYSA-N
XLogP6.00
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.07
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide 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 N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide?
The IUPAC name of N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide (CID 123938030) is N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide is Cc1nnc2n1-c1ccc(O)cc1C(c1ccc(Cl)cc1)=NC2NC(=O)C(C)(C)CC(C)(C)C(C)C.
What is the InChIKey of N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide?
The InChIKey is XFACWDLHDUSWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O2/c1-16(2)27(4,5)15-28(6,7)26(36)31-24-25-33-32-17(3)34(25)22-13-12-20(35)14-21(22)23(30-24)18-8-10-19(29)11-9-18/h8-14,16,24,35H,15H2,1-7H3,(H,31,36).
What are the key properties of N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide?
N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide has a molecular weight of 508.07 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-8-hydroxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-2,2,4,4,5-pentamethylhexanamide is sourced from PubChem (CID 123938030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.