3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

C23H28N4 — CID 4668560

IUPAC3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESc1ccc(CC2CCN(CCN3CCn4c3nc3ccccc34)CC2)cc1
InChIInChI=1S/C23H28N4/c1-2-6-19(7-3-1)18-20-10-12-25(13-11-20)14-15-26-16-17-27-22-9-5-4-8-21(22)24-23(26)27/h1-9,20H,10-18H2
InChIKeyNJWATBACLJBHQO-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.81
Rot. Bonds5

About 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 4668560) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID4668560
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Name3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESc1ccc(CC2CCN(CCN3CCn4c3nc3ccccc34)CC2)cc1
InChIInChI=1S/C23H28N4/c1-2-6-19(7-3-1)18-20-10-12-25(13-11-20)14-15-26-16-17-27-22-9-5-4-8-21(22)24-23(26)27/h1-9,20H,10-18H2
InChIKeyNJWATBACLJBHQO-UHFFFAOYSA-N
XLogP3.81
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 4668560) is 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is c1ccc(CC2CCN(CCN3CCn4c3nc3ccccc34)CC2)cc1.
What is the InChIKey of 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is NJWATBACLJBHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-2-6-19(7-3-1)18-20-10-12-25(13-11-20)14-15-26-16-17-27-22-9-5-4-8-21(22)24-23(26)27/h1-9,20H,10-18H2.
What are the key properties of 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 360.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 4668560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).