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

C15H14N4O — CID 135767433

IUPAC7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3nc(-c4ccc[nH]4)[nH]c3cc21
InChIInChI=1S/C15H14N4O/c1-15(2)8-6-11-12(7-10(8)19-14(15)20)18-13(17-11)9-4-3-5-16-9/h3-7,16H,1-2H3,(H,17,18)(H,19,20)
InChIKeyXKKKWOOXSXDLGV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.79
Rot. Bonds1

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

7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135767433) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135767433
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3nc(-c4ccc[nH]4)[nH]c3cc21
InChIInChI=1S/C15H14N4O/c1-15(2)8-6-11-12(7-10(8)19-14(15)20)18-13(17-11)9-4-3-5-16-9/h3-7,16H,1-2H3,(H,17,18)(H,19,20)
InChIKeyXKKKWOOXSXDLGV-UHFFFAOYSA-N
XLogP2.79
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (CID 135767433) is 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)Nc2cc3nc(-c4ccc[nH]4)[nH]c3cc21.
What is the InChIKey of 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is XKKKWOOXSXDLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-15(2)8-6-11-12(7-10(8)19-14(15)20)18-13(17-11)9-4-3-5-16-9/h3-7,16H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 266.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(1H-pyrrol-2-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135767433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).