spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol

C18H14N2O3 — CID 136510379

IUPACspiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol
SMILESOc1c2ccccc2c(O)c2c3c(ccc12)=NC1(CCOC1)N=3
InChIInChI=1S/C18H14N2O3/c21-16-10-3-1-2-4-11(10)17(22)14-12(16)5-6-13-15(14)20-18(19-13)7-8-23-9-18/h1-6,21-22H,7-9H2
InChIKeyLZJYCWMOZIEVLN-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.77
Rot. Bonds

About spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol

spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol (PubChem CID 136510379) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol.

Molecular Properties

Compound Namespiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol
PubChem CID136510379
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Namespiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol
SMILESOc1c2ccccc2c(O)c2c3c(ccc12)=NC1(CCOC1)N=3
InChIInChI=1S/C18H14N2O3/c21-16-10-3-1-2-4-11(10)17(22)14-12(16)5-6-13-15(14)20-18(19-13)7-8-23-9-18/h1-6,21-22H,7-9H2
InChIKeyLZJYCWMOZIEVLN-UHFFFAOYSA-N
XLogP1.77
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Diamino-2,3-dihydroanthraquinone
CID 6687
2,2-Dimethyl-2,3-dihydro-1H-anthra[1,2-d]imidazole-6,11-dione
CID 135433817
2-Methyl-2-phenyl-2,3-dihydro-1H-anthra[1,2-d]imidazole-6,11-dione
CID 135908529
6-Hydroxy-1,2,3,4-tetrahydronaphtho[2,3-f]quinoxaline-7,12-dione
CID 4259340
5,6-Difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol
CID 136707513
10,11-Difluoro-3,8-diazatetracyclo[10.8.0.02,9.014,19]icosa-1(20),2,8,10,12,14,16,18-octaene-13,20-diol
CID 136707514
10-Hydroxy-1-methylimino-4-[3-(trimethylazaniumyl)propylimino]anthracen-9-olate;hydrate
CID 170841160
(1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol
CID 135463693
(1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol
CID 177482224
5-Diazo-1,2-dihydrobenzo[h][3]benzoxepine-6,11-diol
CID 91436386
1,4-Bis(ethylamino)-2,3-dihydroanthraquinone
CID 135816637
Naphtho[2,3-f]quinoxaline-7,12-dione, 1,2,3,4-tetrahydro-
CID 136041364

Frequently Asked Questions

What is the IUPAC name of spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol?
The IUPAC name of spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol (CID 136510379) is spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol.
What is the SMILES notation for spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol?
The canonical SMILES for spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol is Oc1c2ccccc2c(O)c2c3c(ccc12)=NC1(CCOC1)N=3.
What is the InChIKey of spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol?
The InChIKey is LZJYCWMOZIEVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16-10-3-1-2-4-11(10)17(22)14-12(16)5-6-13-15(14)20-18(19-13)7-8-23-9-18/h1-6,21-22H,7-9H2.
What are the key properties of spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol?
spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol has a molecular weight of 306.32 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol is sourced from PubChem (CID 136510379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).