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

C23H20N4O — CID 70421259

IUPAC5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)N(Cc2ccccc2)c2cc3nc(-c4ccccn4)[nH]c3cc21
InChIInChI=1S/C23H20N4O/c1-23(2)16-12-18-19(26-21(25-18)17-10-6-7-11-24-17)13-20(16)27(22(23)28)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyBXMYEZWUYCDMEU-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.45
Rot. Bonds3

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

5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70421259) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70421259
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)N(Cc2ccccc2)c2cc3nc(-c4ccccn4)[nH]c3cc21
InChIInChI=1S/C23H20N4O/c1-23(2)16-12-18-19(26-21(25-18)17-10-6-7-11-24-17)13-20(16)27(22(23)28)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyBXMYEZWUYCDMEU-UHFFFAOYSA-N
XLogP4.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70421259) is 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)N(Cc2ccccc2)c2cc3nc(-c4ccccn4)[nH]c3cc21.
What is the InChIKey of 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is BXMYEZWUYCDMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-23(2)16-12-18-19(26-21(25-18)17-10-6-7-11-24-17)13-20(16)27(22(23)28)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,26).
What are the key properties of 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 368.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70421259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).