2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one

C16H16N4O2 — CID 67937922

IUPAC2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccncc1O)N3
InChIInChI=1S/C16H16N4O2/c1-16(2)9-5-11-12(6-10(9)20-15(16)22)19-14(18-11)8-3-4-17-7-13(8)21/h3-7,14,18-19,21H,1-2H3,(H,20,22)
InChIKeyOPHYRXLHNKHGQZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.55
Rot. Bonds1

About 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one

2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 67937922) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID67937922
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccncc1O)N3
InChIInChI=1S/C16H16N4O2/c1-16(2)9-5-11-12(6-10(9)20-15(16)22)19-14(18-11)8-3-4-17-7-13(8)21/h3-7,14,18-19,21H,1-2H3,(H,20,22)
InChIKeyOPHYRXLHNKHGQZ-UHFFFAOYSA-N
XLogP2.55
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (CID 67937922) is 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccncc1O)N3.
What is the InChIKey of 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is OPHYRXLHNKHGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-16(2)9-5-11-12(6-10(9)20-15(16)22)19-14(18-11)8-3-4-17-7-13(8)21/h3-7,14,18-19,21H,1-2H3,(H,20,22).
What are the key properties of 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 296.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 67937922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).