N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide

C14H14ClN5O2 — CID 135649906

IUPACN-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESCc1nc2n(n1)C(CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2
InChIInChI=1S/C14H14ClN5O2/c1-7-3-4-9(5-10(7)15)17-12(21)6-11-13(22)18-14-16-8(2)19-20(11)14/h3-5,11H,6H2,1-2H3,(H,17,21)(H,16,18,19,22)
InChIKeyARCXOKOBWCIPOS-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.07
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (PubChem CID 135649906) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
PubChem CID135649906
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESCc1nc2n(n1)C(CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2
InChIInChI=1S/C14H14ClN5O2/c1-7-3-4-9(5-10(7)15)17-12(21)6-11-13(22)18-14-16-8(2)19-20(11)14/h3-5,11H,6H2,1-2H3,(H,17,21)(H,16,18,19,22)
InChIKeyARCXOKOBWCIPOS-UHFFFAOYSA-N
XLogP2.07
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635965
N-(3-chloro-4-methylphenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635991
2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide
CID 135898452
N-(4-acetylphenyl)-2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135925036
N-(2,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649913
N-(3,4-dichlorophenyl)-2-[(6R)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902881
N-(3,4-dichlorophenyl)-2-[(6S)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902882
2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide
CID 135878642
N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135950700
2-[(6S)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dichlorophenyl)acetamide
CID 135902225
N-(3-chloro-4-fluorophenyl)-2-[(6S)-5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902735
N-(3,4-difluorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135993921

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (CID 135649906) is N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is Cc1nc2n(n1)C(CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The InChIKey is ARCXOKOBWCIPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c1-7-3-4-9(5-10(7)15)17-12(21)6-11-13(22)18-14-16-8(2)19-20(11)14/h3-5,11H,6H2,1-2H3,(H,17,21)(H,16,18,19,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide has a molecular weight of 319.75 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is sourced from PubChem (CID 135649906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).