5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one

C17H16N4O — CID 70422189

IUPAC5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)c2cc3[nH]c(-c4ccccn4)nc3cc21
InChIInChI=1S/C17H16N4O/c1-3-21-15-9-14-13(8-11(15)10(2)17(21)22)19-16(20-14)12-6-4-5-7-18-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyKORLXLXNLXKMSM-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.09
Rot. Bonds2

About 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one

5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70422189) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70422189
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)c2cc3[nH]c(-c4ccccn4)nc3cc21
InChIInChI=1S/C17H16N4O/c1-3-21-15-9-14-13(8-11(15)10(2)17(21)22)19-16(20-14)12-6-4-5-7-18-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyKORLXLXNLXKMSM-UHFFFAOYSA-N
XLogP3.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one (CID 70422189) is 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one is CCN1C(=O)C(C)c2cc3[nH]c(-c4ccccn4)nc3cc21.
What is the InChIKey of 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is KORLXLXNLXKMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-3-21-15-9-14-13(8-11(15)10(2)17(21)22)19-16(20-14)12-6-4-5-7-18-12/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one?
5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 292.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methyl-2-pyridin-2-yl-1,7-dihydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70422189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).