2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide

C20H18ClN5O2 — CID 135878642

IUPAC2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1C
InChIInChI=1S/C20H18ClN5O2/c1-11-3-8-15(9-12(11)2)22-17(27)10-16-19(28)24-20-23-18(25-26(16)20)13-4-6-14(21)7-5-13/h3-9,16H,10H2,1-2H3,(H,22,27)(H,23,24,25,28)/t16-/m1/s1
InChIKeyZECYZUUYBDZKMX-MRXNPFEDSA-N
MW395.85 g/mol
LogP3.74
Rot. Bonds4

About 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide

2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 135878642) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID135878642
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1C
InChIInChI=1S/C20H18ClN5O2/c1-11-3-8-15(9-12(11)2)22-17(27)10-16-19(28)24-20-23-18(25-26(16)20)13-4-6-14(21)7-5-13/h3-9,16H,10H2,1-2H3,(H,22,27)(H,23,24,25,28)/t16-/m1/s1
InChIKeyZECYZUUYBDZKMX-MRXNPFEDSA-N
XLogP3.74
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide with MolForge

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Related Compounds

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-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901994
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
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
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-(2,5-dichlorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650006
2-[(6R)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135898465
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135629444
2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 135650045
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
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650076

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 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) is 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1C.
What is the InChIKey of 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ZECYZUUYBDZKMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-11-3-8-15(9-12(11)2)22-17(27)10-16-19(28)24-20-23-18(25-26(16)20)13-4-6-14(21)7-5-13/h3-9,16H,10H2,1-2H3,(H,22,27)(H,23,24,25,28)/t16-/m1/s1.
What are the key properties of 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 395.85 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 135878642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).