4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole

C34H38F3N3O7 — CID 147252924

IUPAC4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)COCCOCCOCCOCCOCCOCCOc1ccc2cc(-c3ccnc4nc5ccccc5n34)ccc2c1
InChIInChI=1S/C34H38F3N3O7/c35-34(36,37)25-46-20-19-44-16-15-42-12-11-41-13-14-43-17-18-45-21-22-47-29-8-7-26-23-28(6-5-27(26)24-29)31-9-10-38-33-39-30-3-1-2-4-32(30)40(31)33/h1-10,23-24H,11-22,25H2
InChIKeyCNARWSUIACQPNI-UHFFFAOYSA-N
MW657.69 g/mol
LogP5.74
Rot. Bonds21

About 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole

4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole (PubChem CID 147252924) has the molecular formula C34H38F3N3O7 and a molecular weight of 657.69 g/mol. Its IUPAC name is 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole
PubChem CID147252924
Molecular FormulaC34H38F3N3O7
Molecular Weight657.69 g/mol
Exact Mass657.27
IUPAC Name4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)COCCOCCOCCOCCOCCOCCOc1ccc2cc(-c3ccnc4nc5ccccc5n34)ccc2c1
InChIInChI=1S/C34H38F3N3O7/c35-34(36,37)25-46-20-19-44-16-15-42-12-11-41-13-14-43-17-18-45-21-22-47-29-8-7-26-23-28(6-5-27(26)24-29)31-9-10-38-33-39-30-3-1-2-4-32(30)40(31)33/h1-10,23-24H,11-22,25H2
InChIKeyCNARWSUIACQPNI-UHFFFAOYSA-N
XLogP5.74
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.69
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole (CID 147252924) is 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole is FC(F)(F)COCCOCCOCCOCCOCCOCCOc1ccc2cc(-c3ccnc4nc5ccccc5n34)ccc2c1.
What is the InChIKey of 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole?
The InChIKey is CNARWSUIACQPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F3N3O7/c35-34(36,37)25-46-20-19-44-16-15-42-12-11-41-13-14-43-17-18-45-21-22-47-29-8-7-26-23-28(6-5-27(26)24-29)31-9-10-38-33-39-30-3-1-2-4-32(30)40(31)33/h1-10,23-24H,11-22,25H2.
What are the key properties of 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole?
4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole has a molecular weight of 657.69 g/mol, XLogP of 5.74, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 147252924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).