2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole

C25H32N4 — CID 56683980

IUPAC2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)n(CCN1CCCC1)c1nc(C34CC5CC(CC(C5)C3)C4)cn21
InChIInChI=1S/C25H32N4/c1-2-6-22-21(5-1)28(10-9-27-7-3-4-8-27)24-26-23(17-29(22)24)25-14-18-11-19(15-25)13-20(12-18)16-25/h1-2,5-6,17-20H,3-4,7-16H2
InChIKeyNVFIOJARKNSLGP-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.85
Rot. Bonds4

About 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole

2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole (PubChem CID 56683980) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole
PubChem CID56683980
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)n(CCN1CCCC1)c1nc(C34CC5CC(CC(C5)C3)C4)cn21
InChIInChI=1S/C25H32N4/c1-2-6-22-21(5-1)28(10-9-27-7-3-4-8-27)24-26-23(17-29(22)24)25-14-18-11-19(15-25)13-20(12-18)16-25/h1-2,5-6,17-20H,3-4,7-16H2
InChIKeyNVFIOJARKNSLGP-UHFFFAOYSA-N
XLogP4.85
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole (CID 56683980) is 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole is c1ccc2c(c1)n(CCN1CCCC1)c1nc(C34CC5CC(CC(C5)C3)C4)cn21.
What is the InChIKey of 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The InChIKey is NVFIOJARKNSLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-2-6-22-21(5-1)28(10-9-27-7-3-4-8-27)24-26-23(17-29(22)24)25-14-18-11-19(15-25)13-20(12-18)16-25/h1-2,5-6,17-20H,3-4,7-16H2.
What are the key properties of 2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole has a molecular weight of 388.56 g/mol, XLogP of 4.85, 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-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 56683980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).