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

C17H18N4O2 — CID 67937354

IUPAC2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCOc1cc(C2Nc3cc4c(cc3N2)C(C)(C)C(=O)N4)ccn1
InChIInChI=1S/C17H18N4O2/c1-17(2)10-7-12-13(8-11(10)21-16(17)22)20-15(19-12)9-4-5-18-14(6-9)23-3/h4-8,15,19-20H,1-3H3,(H,21,22)
InChIKeyFKQAZXISQIJJSU-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.86
Rot. Bonds2

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

2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 67937354) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID67937354
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCOc1cc(C2Nc3cc4c(cc3N2)C(C)(C)C(=O)N4)ccn1
InChIInChI=1S/C17H18N4O2/c1-17(2)10-7-12-13(8-11(10)21-16(17)22)20-15(19-12)9-4-5-18-14(6-9)23-3/h4-8,15,19-20H,1-3H3,(H,21,22)
InChIKeyFKQAZXISQIJJSU-UHFFFAOYSA-N
XLogP2.86
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (CID 67937354) is 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is COc1cc(C2Nc3cc4c(cc3N2)C(C)(C)C(=O)N4)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is FKQAZXISQIJJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(2)10-7-12-13(8-11(10)21-16(17)22)20-15(19-12)9-4-5-18-14(6-9)23-3/h4-8,15,19-20H,1-3H3,(H,21,22).
What are the key properties of 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 310.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 67937354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).