2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine

C24H26N4O2 — CID 3746017

IUPAC2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(C=Nc2nc3ccccc3n2CCN(C)C)c2c(OC)cccc12
InChIInChI=1S/C24H26N4O2/c1-27(2)14-15-28-20-10-6-5-9-19(20)26-24(28)25-16-17-12-13-21(29-3)18-8-7-11-22(30-4)23(17)18/h5-13,16H,14-15H2,1-4H3
InChIKeyVISYGFGYLHSDLA-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.52
Rot. Bonds7

About 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine

2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 3746017) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID3746017
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(C=Nc2nc3ccccc3n2CCN(C)C)c2c(OC)cccc12
InChIInChI=1S/C24H26N4O2/c1-27(2)14-15-28-20-10-6-5-9-19(20)26-24(28)25-16-17-12-13-21(29-3)18-8-7-11-22(30-4)23(17)18/h5-13,16H,14-15H2,1-4H3
InChIKeyVISYGFGYLHSDLA-UHFFFAOYSA-N
XLogP4.52
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine (CID 3746017) is 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine is COc1ccc(C=Nc2nc3ccccc3n2CCN(C)C)c2c(OC)cccc12.
What is the InChIKey of 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is VISYGFGYLHSDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27(2)14-15-28-20-10-6-5-9-19(20)26-24(28)25-16-17-12-13-21(29-3)18-8-7-11-22(30-4)23(17)18/h5-13,16H,14-15H2,1-4H3.
What are the key properties of 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine?
2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 402.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 3746017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).