2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C21H21N5O5 — CID 51138342

IUPAC2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(N2Cc3nn(CC(=O)NCc4cccc(OC)c4)c(=O)n3C2=O)cc1
InChIInChI=1S/C21H21N5O5/c1-30-16-8-6-15(7-9-16)24-12-18-23-25(21(29)26(18)20(24)28)13-19(27)22-11-14-4-3-5-17(10-14)31-2/h3-10H,11-13H2,1-2H3,(H,22,27)
InChIKeySQSHPBZIGYWOEN-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.37
Rot. Bonds7

About 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 51138342) has the molecular formula C21H21N5O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID51138342
Molecular FormulaC21H21N5O5
Molecular Weight423.43 g/mol
Exact Mass423.15
IUPAC Name2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(N2Cc3nn(CC(=O)NCc4cccc(OC)c4)c(=O)n3C2=O)cc1
InChIInChI=1S/C21H21N5O5/c1-30-16-8-6-15(7-9-16)24-12-18-23-25(21(29)26(18)20(24)28)13-19(27)22-11-14-4-3-5-17(10-14)31-2/h3-10H,11-13H2,1-2H3,(H,22,27)
InChIKeySQSHPBZIGYWOEN-UHFFFAOYSA-N
XLogP1.37
TPSA107.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51138501
N-[(4-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948860
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 91972605
N-[(2-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948861
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide
CID 91973098
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 50927047
5-iodo-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxylic acid
CID 166720894
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
2-(15-chloro-3-oxo-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 95808472
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 5301950

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 51138342) is 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1ccc(N2Cc3nn(CC(=O)NCc4cccc(OC)c4)c(=O)n3C2=O)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is SQSHPBZIGYWOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5/c1-30-16-8-6-15(7-9-16)24-12-18-23-25(21(29)26(18)20(24)28)13-19(27)22-11-14-4-3-5-17(10-14)31-2/h3-10H,11-13H2,1-2H3,(H,22,27).
What are the key properties of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 423.43 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 51138342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).