7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione

C11H11N3O2 — CID 15595463

IUPAC7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione
SMILESCC1(C)C(=O)Nc2cc3[nH]c(=O)[nH]c3cc21
InChIInChI=1S/C11H11N3O2/c1-11(2)5-3-7-8(14-10(16)13-7)4-6(5)12-9(11)15/h3-4H,1-2H3,(H,12,15)(H2,13,14,16)
InChIKeyJMEFBVPJQROQMS-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.09
Rot. Bonds

About 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione

7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione (PubChem CID 15595463) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione.

Molecular Properties

Compound Name7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione
PubChem CID15595463
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione
SMILESCC1(C)C(=O)Nc2cc3[nH]c(=O)[nH]c3cc21
InChIInChI=1S/C11H11N3O2/c1-11(2)5-3-7-8(14-10(16)13-7)4-6(5)12-9(11)15/h3-4H,1-2H3,(H,12,15)(H2,13,14,16)
InChIKeyJMEFBVPJQROQMS-UHFFFAOYSA-N
XLogP1.09
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione?
The IUPAC name of 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione (CID 15595463) is 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione.
What is the SMILES notation for 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione?
The canonical SMILES for 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione is CC1(C)C(=O)Nc2cc3[nH]c(=O)[nH]c3cc21.
What is the InChIKey of 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione?
The InChIKey is JMEFBVPJQROQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-11(2)5-3-7-8(14-10(16)13-7)4-6(5)12-9(11)15/h3-4H,1-2H3,(H,12,15)(H2,13,14,16).
What are the key properties of 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione?
7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione has a molecular weight of 217.23 g/mol, XLogP of 1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazole-2,6-dione is sourced from PubChem (CID 15595463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).