2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione

C20H15N5O3 — CID 135988643

IUPAC2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)C(=O)NC3=O
InChIInChI=1S/C20H15N5O3/c1-25-16(17(28-2)15(24-25)10-6-4-3-5-7-10)18-21-13-8-11-12(9-14(13)22-18)20(27)23-19(11)26/h3-9H,1-2H3,(H,21,22)(H,23,26,27)
InChIKeyXSJQCGIANDBVGF-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione

2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione (PubChem CID 135988643) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione.

Molecular Properties

Compound Name2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
PubChem CID135988643
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)C(=O)NC3=O
InChIInChI=1S/C20H15N5O3/c1-25-16(17(28-2)15(24-25)10-6-4-3-5-7-10)18-21-13-8-11-12(9-14(13)22-18)20(27)23-19(11)26/h3-9H,1-2H3,(H,21,22)(H,23,26,27)
InChIKeyXSJQCGIANDBVGF-UHFFFAOYSA-N
XLogP2.52
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?
The IUPAC name of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione (CID 135988643) is 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione.
What is the SMILES notation for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?
The canonical SMILES for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione is COc1c(-c2ccccc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)C(=O)NC3=O.
What is the InChIKey of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?
The InChIKey is XSJQCGIANDBVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-25-16(17(28-2)15(24-25)10-6-4-3-5-7-10)18-21-13-8-11-12(9-14(13)22-18)20(27)23-19(11)26/h3-9H,1-2H3,(H,21,22)(H,23,26,27).
What are the key properties of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?
2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione has a molecular weight of 373.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione is sourced from PubChem (CID 135988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).