2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide

C26H36Br2N4 — CID 163342582

IUPAC2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide
SMILESBr.Br.c1ccc2c(c1)n(CCN1CCCCC1)c1nc(C34CC5CC(CC(C5)C3)C4)cn21
InChIInChI=1S/C26H34N4.2BrH/c1-4-8-28(9-5-1)10-11-29-22-6-2-3-7-23(22)30-18-24(27-25(29)30)26-15-19-12-20(16-26)14-21(13-19)17-26;;/h2-3,6-7,18-21H,1,4-5,8-17H2;2*1H
InChIKeyXRARWTIRVSEMMW-UHFFFAOYSA-N
MW564.41 g/mol
LogP6.40
Rot. Bonds4

About 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide

2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide (PubChem CID 163342582) has the molecular formula C26H36Br2N4 and a molecular weight of 564.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide.

Molecular Properties

Compound Name2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide
PubChem CID163342582
Molecular FormulaC26H36Br2N4
Molecular Weight564.41 g/mol
Exact Mass562.13
IUPAC Name2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide
SMILESBr.Br.c1ccc2c(c1)n(CCN1CCCCC1)c1nc(C34CC5CC(CC(C5)C3)C4)cn21
InChIInChI=1S/C26H34N4.2BrH/c1-4-8-28(9-5-1)10-11-29-22-6-2-3-7-23(22)30-18-24(27-25(29)30)26-15-19-12-20(16-26)14-21(13-19)17-26;;/h2-3,6-7,18-21H,1,4-5,8-17H2;2*1H
InChIKeyXRARWTIRVSEMMW-UHFFFAOYSA-N
XLogP6.40
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.41
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide 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 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide?
The IUPAC name of 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide (CID 163342582) is 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide.
What is the SMILES notation for 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide?
The canonical SMILES for 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide is Br.Br.c1ccc2c(c1)n(CCN1CCCCC1)c1nc(C34CC5CC(CC(C5)C3)C4)cn21.
What is the InChIKey of 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide?
The InChIKey is XRARWTIRVSEMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4.2BrH/c1-4-8-28(9-5-1)10-11-29-22-6-2-3-7-23(22)30-18-24(27-25(29)30)26-15-19-12-20(16-26)14-21(13-19)17-26;;/h2-3,6-7,18-21H,1,4-5,8-17H2;2*1H.
What are the key properties of 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide?
2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide has a molecular weight of 564.41 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide is sourced from PubChem (CID 163342582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).