5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one

C20H22N4O2 — CID 70422645

IUPAC5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one
SMILESCOCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(-c1ccncc1)n3C
InChIInChI=1S/C20H22N4O2/c1-20(2)14-11-17-15(12-16(14)24(19(20)25)9-10-26-4)22-18(23(17)3)13-5-7-21-8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyHEFZDUMNYRCJDB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.91
Rot. Bonds4

About 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one

5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70422645) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70422645
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one
SMILESCOCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(-c1ccncc1)n3C
InChIInChI=1S/C20H22N4O2/c1-20(2)14-11-17-15(12-16(14)24(19(20)25)9-10-26-4)22-18(23(17)3)13-5-7-21-8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyHEFZDUMNYRCJDB-UHFFFAOYSA-N
XLogP2.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one (CID 70422645) is 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one is COCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(-c1ccncc1)n3C.
What is the InChIKey of 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is HEFZDUMNYRCJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2)14-11-17-15(12-16(14)24(19(20)25)9-10-26-4)22-18(23(17)3)13-5-7-21-8-6-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one?
5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 350.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70422645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).