About (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
(2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 18529987) has the molecular formula C24H15Cl2N5O2
and a molecular weight of 476.32 g/mol. Its IUPAC name is (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
Molecular Properties
| Compound Name | (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile |
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| PubChem CID | 18529987 |
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| Molecular Formula | C24H15Cl2N5O2 |
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| Molecular Weight | 476.32 g/mol |
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| Exact Mass | 475.06 |
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| IUPAC Name | (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile |
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| SMILES | Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1/C=c1/c(C)c(C#N)c2nc3ccccc3n2c1=O |
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| InChI | InChI=1S/C24H15Cl2N5O2/c1-12-15(23(32)30-21-6-4-3-5-20(21)28-22(30)17(12)11-27)10-16-13(2)29-31(24(16)33)14-7-8-18(25)19(26)9-14/h3-10,29H,1-2H3/b15-10- |
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| InChIKey | PSCYHVIBVPGAHI-GDNBJRDFSA-N |
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| XLogP | 3.67 |
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| TPSA | 95.95 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 476.32 |
| LogP ≤ 5 | 3.67 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile (CID 18529987) is (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1/C=c1/c(C)c(C#N)c2nc3ccccc3n2c1=O.
What is the InChIKey of (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is PSCYHVIBVPGAHI-GDNBJRDFSA-N. The full InChI is InChI=1S/C24H15Cl2N5O2/c1-12-15(23(32)30-21-6-4-3-5-20(21)28-22(30)17(12)11-27)10-16-13(2)29-31(24(16)33)14-7-8-18(25)19(26)9-14/h3-10,29H,1-2H3/b15-10-.
What are the key properties of (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
(2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 476.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 18529987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).