1,2-bis(1-adamantyl)imidazole

C23H32N2 — CID 67173233

IUPAC1,2-bis(1-adamantyl)imidazole
SMILESc1cn(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C23H32N2/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22/h1-2,15-20H,3-14H2
InChIKeyPAVGQAMCKKBVGE-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.28
Rot. Bonds2

About 1,2-bis(1-adamantyl)imidazole

1,2-bis(1-adamantyl)imidazole (PubChem CID 67173233) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1,2-bis(1-adamantyl)imidazole.

Molecular Properties

Compound Name1,2-bis(1-adamantyl)imidazole
PubChem CID67173233
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name1,2-bis(1-adamantyl)imidazole
SMILESc1cn(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C23H32N2/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22/h1-2,15-20H,3-14H2
InChIKeyPAVGQAMCKKBVGE-UHFFFAOYSA-N
XLogP5.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-adamantyl)imidazole?
The IUPAC name of 1,2-bis(1-adamantyl)imidazole (CID 67173233) is 1,2-bis(1-adamantyl)imidazole.
What is the SMILES notation for 1,2-bis(1-adamantyl)imidazole?
The canonical SMILES for 1,2-bis(1-adamantyl)imidazole is c1cn(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 1,2-bis(1-adamantyl)imidazole?
The InChIKey is PAVGQAMCKKBVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22/h1-2,15-20H,3-14H2.
What are the key properties of 1,2-bis(1-adamantyl)imidazole?
1,2-bis(1-adamantyl)imidazole has a molecular weight of 336.52 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-adamantyl)imidazole is sourced from PubChem (CID 67173233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).