1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol

C20H19N3O2 — CID 136635150

IUPAC1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol
SMILESCN1CCC2(CC1)N=c1ccc3c(O)c4ccccc4c(O)c3c1=N2
InChIInChI=1S/C20H19N3O2/c1-23-10-8-20(9-11-23)21-15-7-6-14-16(17(15)22-20)19(25)13-5-3-2-4-12(13)18(14)24/h2-7,24-25H,8-11H2,1H3
InChIKeyBKHMVZZZRCMVCG-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.08
Rot. Bonds

About 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol

1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol (PubChem CID 136635150) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol.

Molecular Properties

Compound Name1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol
PubChem CID136635150
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol
SMILESCN1CCC2(CC1)N=c1ccc3c(O)c4ccccc4c(O)c3c1=N2
InChIInChI=1S/C20H19N3O2/c1-23-10-8-20(9-11-23)21-15-7-6-14-16(17(15)22-20)19(25)13-5-3-2-4-12(13)18(14)24/h2-7,24-25H,8-11H2,1H3
InChIKeyBKHMVZZZRCMVCG-UHFFFAOYSA-N
XLogP2.08
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol?
The IUPAC name of 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol (CID 136635150) is 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol.
What is the SMILES notation for 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol?
The canonical SMILES for 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol is CN1CCC2(CC1)N=c1ccc3c(O)c4ccccc4c(O)c3c1=N2.
What is the InChIKey of 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol?
The InChIKey is BKHMVZZZRCMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23-10-8-20(9-11-23)21-15-7-6-14-16(17(15)22-20)19(25)13-5-3-2-4-12(13)18(14)24/h2-7,24-25H,8-11H2,1H3.
What are the key properties of 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol?
1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol has a molecular weight of 333.39 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol is sourced from PubChem (CID 136635150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).