7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C11H11N3OS — CID 15595466

IUPAC7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3[nH]c(=S)[nH]c3cc21
InChIInChI=1S/C11H11N3OS/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)
InChIKeySLFAQADGUSYODI-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.46
Rot. Bonds

About 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 15595466) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID15595466
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3[nH]c(=S)[nH]c3cc21
InChIInChI=1S/C11H11N3OS/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)
InChIKeySLFAQADGUSYODI-UHFFFAOYSA-N
XLogP2.46
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-diamino-2,3-dihydro-1H-indol-2-one
CID 22162321
7,7-Dimethyl-2-hydroxy-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-one
CID 15595463
1,7,7-Trimethyl-2-hydroxy-6,7-dihydro-5H-pyrrolo[2,3-f]benzimidazol-6-one
CID 20149418
7-methyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 67937731
7-Acetyl-7-methyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
CID 67937756
7,7-Dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
CID 67937847
7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 67937874
7,7-Dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
CID 70353559
7,7-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
CID 88522637
2H-Indol-2-one, 5,6-diamino-1,3-dihydro-3,3-dimethyl-
CID 13589237
5,6-diaminospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 13589238
5,6-Diamino-3-propan-2-yl-1,3-dihydroindol-2-one
CID 13633295

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 15595466) is 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)Nc2cc3[nH]c(=S)[nH]c3cc21.
What is the InChIKey of 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is SLFAQADGUSYODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/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-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 233.30 g/mol, XLogP of 2.46, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 15595466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).