2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide

C19H15ClN6O5 — CID 135994226

IUPAC2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C19H15ClN6O5/c1-31-15-8-12(26(29)30)6-7-13(15)21-16(27)9-14-18(28)23-19-22-17(24-25(14)19)10-2-4-11(20)5-3-10/h2-8,14H,9H2,1H3,(H,21,27)(H,22,23,24,28)
InChIKeyOVINSEHYHYAFTD-UHFFFAOYSA-N
MW442.82 g/mol
LogP3.04
Rot. Bonds6

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

2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 135994226) has the molecular formula C19H15ClN6O5 and a molecular weight of 442.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID135994226
Molecular FormulaC19H15ClN6O5
Molecular Weight442.82 g/mol
Exact Mass442.08
IUPAC Name2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C19H15ClN6O5/c1-31-15-8-12(26(29)30)6-7-13(15)21-16(27)9-14-18(28)23-19-22-17(24-25(14)19)10-2-4-11(20)5-3-10/h2-8,14H,9H2,1H3,(H,21,27)(H,22,23,24,28)
InChIKeyOVINSEHYHYAFTD-UHFFFAOYSA-N
XLogP3.04
TPSA141.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.82
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-(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
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-[(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-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135629444
2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 135878636
N-(2-ethoxyphenyl)-2-[(6S)-5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902149
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
N-(4-fluorophenyl)-2-[(6S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902818
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-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135650049
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 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 135994226) is 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is OVINSEHYHYAFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O5/c1-31-15-8-12(26(29)30)6-7-13(15)21-16(27)9-14-18(28)23-19-22-17(24-25(14)19)10-2-4-11(20)5-3-10/h2-8,14H,9H2,1H3,(H,21,27)(H,22,23,24,28).
What are the key properties of 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 442.82 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 135994226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).