5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one

C18H18N4O — CID 70422686

IUPAC5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccccn4)nc3cc21
InChIInChI=1S/C18H18N4O/c1-4-22-15-10-14-13(9-11(15)18(2,3)17(22)23)20-16(21-14)12-7-5-6-8-19-12/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyOTSUUIYCNKJRBK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.27
Rot. Bonds2

About 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one

5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70422686) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70422686
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccccn4)nc3cc21
InChIInChI=1S/C18H18N4O/c1-4-22-15-10-14-13(9-11(15)18(2,3)17(22)23)20-16(21-14)12-7-5-6-8-19-12/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyOTSUUIYCNKJRBK-UHFFFAOYSA-N
XLogP3.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70422686) is 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccccn4)nc3cc21.
What is the InChIKey of 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is OTSUUIYCNKJRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-4-22-15-10-14-13(9-11(15)18(2,3)17(22)23)20-16(21-14)12-7-5-6-8-19-12/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 306.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70422686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).