2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C25H26N6O2 — CID 134132506

IUPAC2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc(-c2cn(CC(=O)NC3CCCc4ccccc43)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H26N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-14,16,21H,5,7,9,15H2,1-2H3,(H,27,32)
InChIKeyYROXGJJAGVMPAG-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.64
Rot. Bonds6

About 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 134132506) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID134132506
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc(-c2cn(CC(=O)NC3CCCc4ccccc43)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H26N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-14,16,21H,5,7,9,15H2,1-2H3,(H,27,32)
InChIKeyYROXGJJAGVMPAG-UHFFFAOYSA-N
XLogP3.64
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide 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

4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-1-(2-methylprop-2-enyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 59472613
(5R)-5-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 70275556
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
CID 59472591
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[(4-pyrrol-1-ylphenyl)methyl]triazole
CID 59472774
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9355681
N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine
CID 66960763
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
methyl 4-methoxy-2-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzoate
CID 7705059
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 134132506) is 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1cc(-c2cn(CC(=O)NC3CCCc4ccccc43)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is YROXGJJAGVMPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-14,16,21H,5,7,9,15H2,1-2H3,(H,27,32).
What are the key properties of 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 134132506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).