5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one

C16H15N5O — CID 70421075

IUPAC5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cnccn4)nc3cc21
InChIInChI=1S/C16H15N5O/c1-16(2)9-6-10-11(7-13(9)21(3)15(16)22)20-14(19-10)12-8-17-4-5-18-12/h4-8H,1-3H3,(H,19,20)
InChIKeyFKOATVVSNUFOEX-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.27
Rot. Bonds1

About 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one

5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70421075) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70421075
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cnccn4)nc3cc21
InChIInChI=1S/C16H15N5O/c1-16(2)9-6-10-11(7-13(9)21(3)15(16)22)20-14(19-10)12-8-17-4-5-18-12/h4-8H,1-3H3,(H,19,20)
InChIKeyFKOATVVSNUFOEX-UHFFFAOYSA-N
XLogP2.27
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70421075) is 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one is CN1C(=O)C(C)(C)c2cc3[nH]c(-c4cnccn4)nc3cc21.
What is the InChIKey of 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is FKOATVVSNUFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-16(2)9-6-10-11(7-13(9)21(3)15(16)22)20-14(19-10)12-8-17-4-5-18-12/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 293.33 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70421075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).