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

C16H17N5O — CID 135425336

IUPAC5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccn[nH]4)nc3cc21
InChIInChI=1S/C16H17N5O/c1-4-21-13-8-12-11(7-9(13)16(2,3)15(21)22)18-14(19-12)10-5-6-17-20-10/h5-8H,4H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDIYIANVZYCTDJF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.60
Rot. Bonds2

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

5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135425336) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135425336
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccn[nH]4)nc3cc21
InChIInChI=1S/C16H17N5O/c1-4-21-13-8-12-11(7-9(13)16(2,3)15(21)22)18-14(19-12)10-5-6-17-20-10/h5-8H,4H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDIYIANVZYCTDJF-UHFFFAOYSA-N
XLogP2.60
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.60
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-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135425336) is 5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccn[nH]4)nc3cc21.
What is the InChIKey of 5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is DIYIANVZYCTDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-4-21-13-8-12-11(7-9(13)16(2,3)15(21)22)18-14(19-12)10-5-6-17-20-10/h5-8H,4H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 295.35 g/mol, XLogP of 2.60, 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-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135425336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).