7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

C13H11N5OS — CID 135767459

IUPAC7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3nc(-c4nncs4)[nH]c3cc21
InChIInChI=1S/C13H11N5OS/c1-13(2)6-3-8-9(4-7(6)17-12(13)19)16-10(15-8)11-18-14-5-20-11/h3-5H,1-2H3,(H,15,16)(H,17,19)
InChIKeyNUQUEBCYYUYDBJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.31
Rot. Bonds1

About 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135767459) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135767459
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3nc(-c4nncs4)[nH]c3cc21
InChIInChI=1S/C13H11N5OS/c1-13(2)6-3-8-9(4-7(6)17-12(13)19)16-10(15-8)11-18-14-5-20-11/h3-5H,1-2H3,(H,15,16)(H,17,19)
InChIKeyNUQUEBCYYUYDBJ-UHFFFAOYSA-N
XLogP2.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (CID 135767459) is 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)Nc2cc3nc(-c4nncs4)[nH]c3cc21.
What is the InChIKey of 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is NUQUEBCYYUYDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-13(2)6-3-8-9(4-7(6)17-12(13)19)16-10(15-8)11-18-14-5-20-11/h3-5H,1-2H3,(H,15,16)(H,17,19).
What are the key properties of 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 285.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(1,3,4-thiadiazol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135767459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).