1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole

C28H22N4O — CID 162088294

IUPAC1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole
SMILESNc1ccccc1N1C(=O)Cc2ccccc21.c1ccc2c(c1)Cc1nc3ccccc3n1-2
InChIInChI=1S/C14H12N2O.C14H10N2/c15-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-14(16)17;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14/h1-8H,9,15H2;1-8H,9H2
InChIKeyZDGMZZYZGJASJF-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.42
Rot. Bonds1

About 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole

1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole (PubChem CID 162088294) has the molecular formula C28H22N4O and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole
PubChem CID162088294
Molecular FormulaC28H22N4O
Molecular Weight430.51 g/mol
Exact Mass430.18
IUPAC Name1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole
SMILESNc1ccccc1N1C(=O)Cc2ccccc21.c1ccc2c(c1)Cc1nc3ccccc3n1-2
InChIInChI=1S/C14H12N2O.C14H10N2/c15-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-14(16)17;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14/h1-8H,9,15H2;1-8H,9H2
InChIKeyZDGMZZYZGJASJF-UHFFFAOYSA-N
XLogP5.42
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;11H-indolo[1,2-a]benzimidazole
CID 160799829
1-quinolin-2-yl-3H-indol-2-one
CID 174510331
3,4-dihydro-2H-pyrido[1,2-a]benzimidazol-1-one
CID 14171670
1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007
[3-(11H-indolo[1,2-a]benzimidazol-7-yl)phenyl]-methyl-diphenylsilane
CID 158000610
1-(2-aminophenyl)azepane-2,7-dione
CID 43446671
10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine
CID 134165975
4-(2-aminophenyl)morpholine-3,5-dione
CID 61326987
2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-9-one
CID 164853579
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
1-[4-(aminomethyl)phenyl]-3H-indol-2-one
CID 117030089
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole?
The IUPAC name of 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole (CID 162088294) is 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole.
What is the SMILES notation for 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole?
The canonical SMILES for 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole is Nc1ccccc1N1C(=O)Cc2ccccc21.c1ccc2c(c1)Cc1nc3ccccc3n1-2.
What is the InChIKey of 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole?
The InChIKey is ZDGMZZYZGJASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C14H10N2/c15-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-14(16)17;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14/h1-8H,9,15H2;1-8H,9H2.
What are the key properties of 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole?
1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole has a molecular weight of 430.51 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3H-indol-2-one;11H-indolo[1,2-a]benzimidazole is sourced from PubChem (CID 162088294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).