4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

C21H25N3O — CID 118710297

IUPAC4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCC(C)(C)c1ccc(OCCN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C21H25N3O/c1-21(2,3)16-8-10-17(11-9-16)25-15-14-24-19-7-5-4-6-18(19)23-13-12-22-20(23)24/h4-11H,12-15H2,1-3H3
InChIKeyVYUAOEKDDVVKON-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.06
Rot. Bonds4

About 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 118710297) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID118710297
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCC(C)(C)c1ccc(OCCN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C21H25N3O/c1-21(2,3)16-8-10-17(11-9-16)25-15-14-24-19-7-5-4-6-18(19)23-13-12-22-20(23)24/h4-11H,12-15H2,1-3H3
InChIKeyVYUAOEKDDVVKON-UHFFFAOYSA-N
XLogP4.06
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 118710297) is 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is CC(C)(C)c1ccc(OCCN2C3=NCCN3c3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is VYUAOEKDDVVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-21(2,3)16-8-10-17(11-9-16)25-15-14-24-19-7-5-4-6-18(19)23-13-12-22-20(23)24/h4-11H,12-15H2,1-3H3.
What are the key properties of 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 335.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenoxy)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 118710297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).