1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one

C29H21N3O — CID 121248165

IUPAC1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESCC1(C)c2ccccc2N(c2cccc3c2C(=O)n2c-3nc3ccccc32)c2ccccc21
InChIInChI=1S/C29H21N3O/c1-29(2)19-11-3-6-14-22(19)31(23-15-7-4-12-20(23)29)25-17-9-10-18-26(25)28(33)32-24-16-8-5-13-21(24)30-27(18)32/h3-17H,1-2H3
InChIKeyKZAPEMBWUPAUSQ-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.81
Rot. Bonds1

About 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one

1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one (PubChem CID 121248165) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Name1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
PubChem CID121248165
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESCC1(C)c2ccccc2N(c2cccc3c2C(=O)n2c-3nc3ccccc32)c2ccccc21
InChIInChI=1S/C29H21N3O/c1-29(2)19-11-3-6-14-22(19)31(23-15-7-4-12-20(23)29)25-17-9-10-18-26(25)28(33)32-24-16-8-5-13-21(24)30-27(18)32/h3-17H,1-2H3
InChIKeyKZAPEMBWUPAUSQ-UHFFFAOYSA-N
XLogP6.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248103
4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 130417555
1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248120
2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248032
5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
CID 156788934
5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
CID 156788914
[(5R)-5-methyl-6-oxobenzimidazolo[2,1-a]isoquinolin-5-yl]methyl thiocyanate
CID 164675633
9,9-dimethyl-10-[2,3,4-tris(9,9-dimethylacridin-10-yl)-5-[3-(1-methylbenzimidazol-2-yl)phenyl]phenyl]acridine
CID 164705863
2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-1-naphthalen-1-ylbenzimidazole
CID 170236221
15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 121248142
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248025

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one (CID 121248165) is 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one is CC1(C)c2ccccc2N(c2cccc3c2C(=O)n2c-3nc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is KZAPEMBWUPAUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-29(2)19-11-3-6-14-22(19)31(23-15-7-4-12-20(23)29)25-17-9-10-18-26(25)28(33)32-24-16-8-5-13-21(24)30-27(18)32/h3-17H,1-2H3.
What are the key properties of 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one has a molecular weight of 427.51 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 121248165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).