5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

C17H19N5O — CID 135502940

IUPAC5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cc(C)[nH]n4)nc3cc21
InChIInChI=1S/C17H19N5O/c1-5-22-14-8-12-11(7-10(14)17(3,4)16(22)23)18-15(19-12)13-6-9(2)20-21-13/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyQRFIOQPCVMNZPT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.91
Rot. Bonds2

About 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135502940) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135502940
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cc(C)[nH]n4)nc3cc21
InChIInChI=1S/C17H19N5O/c1-5-22-14-8-12-11(7-10(14)17(3,4)16(22)23)18-15(19-12)13-6-9(2)20-21-13/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyQRFIOQPCVMNZPT-UHFFFAOYSA-N
XLogP2.91
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135502940) is 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cc(C)[nH]n4)nc3cc21.
What is the InChIKey of 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is QRFIOQPCVMNZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-5-22-14-8-12-11(7-10(14)17(3,4)16(22)23)18-15(19-12)13-6-9(2)20-21-13/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 309.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135502940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).