bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one

C22H15N5O3 — CID 158725420

IUPACbis(benzimidazol-2-one);2,3-dihydroisoindol-1-one
SMILESO=C1N=c2ccccc2=N1.O=C1N=c2ccccc2=N1.O=C1NCc2ccccc21
InChIInChI=1S/C8H7NO.2C7H4N2O/c10-8-7-4-2-1-3-6(7)5-9-8;2*10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,5H2,(H,9,10);2*1-4H
InChIKeyIKLBFHGMPQTKPF-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.05
Rot. Bonds

About bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one

bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one (PubChem CID 158725420) has the molecular formula C22H15N5O3 and a molecular weight of 397.39 g/mol. Its IUPAC name is bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Namebis(benzimidazol-2-one);2,3-dihydroisoindol-1-one
PubChem CID158725420
Molecular FormulaC22H15N5O3
Molecular Weight397.39 g/mol
Exact Mass397.12
IUPAC Namebis(benzimidazol-2-one);2,3-dihydroisoindol-1-one
SMILESO=C1N=c2ccccc2=N1.O=C1N=c2ccccc2=N1.O=C1NCc2ccccc21
InChIInChI=1S/C8H7NO.2C7H4N2O/c10-8-7-4-2-1-3-6(7)5-9-8;2*10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,5H2,(H,9,10);2*1-4H
InChIKeyIKLBFHGMPQTKPF-UHFFFAOYSA-N
XLogP1.05
TPSA112.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroisoindol-1-one;methane
CID 161271775
2,3-dihydroisoindol-1-one;isoindole-1,3-dione
CID 68591479
2,3-dihydroisoindol-1-one;perylene
CID 157138971
2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
CID 141389708
2,3-dihydroisoindol-1-one;2-phenylchromen-4-one
CID 175495786
4-(dimethylaminomethylidene)-1,2-dihydroisoquinolin-3-one
CID 68694593
2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide
CID 144713254
2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 11240655
3,12,23,32-tetrazanonacyclo[32.6.6.614,21.05,10.015,20.025,30.035,40.041,46.047,52]dopentaconta-1(40),5,7,9,14(52),15,17,19,21(47),25,27,29,34,36,38,41,43,45,48,50-icosaene-4,11,24,31-tetrone
CID 102364029
2,3-dihydro-1H-isoquinolin-4-one
CID 23008851
4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 118856234
6-bromo-2,3-dihydroisoindol-1-one
CID 22220919

Frequently Asked Questions

What is the IUPAC name of bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one?
The IUPAC name of bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one (CID 158725420) is bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one.
What is the SMILES notation for bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one?
The canonical SMILES for bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one is O=C1N=c2ccccc2=N1.O=C1N=c2ccccc2=N1.O=C1NCc2ccccc21.
What is the InChIKey of bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one?
The InChIKey is IKLBFHGMPQTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.2C7H4N2O/c10-8-7-4-2-1-3-6(7)5-9-8;2*10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,5H2,(H,9,10);2*1-4H.
What are the key properties of bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one?
bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one has a molecular weight of 397.39 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158725420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).