2,5-bis(1-adamantyl)-1H-imidazole

C23H32N2 — CID 56946897

IUPAC2,5-bis(1-adamantyl)-1H-imidazole
SMILESc1nc(C23CC4CC(CC(C4)C2)C3)[nH]c1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2/c1-14-2-16-3-15(1)8-22(7-14,9-16)20-13-24-21(25-20)23-10-17-4-18(11-23)6-19(5-17)12-23/h13-19H,1-12H2,(H,24,25)
InChIKeyUOBFHKYJLGZSAW-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.35
Rot. Bonds2

About 2,5-bis(1-adamantyl)-1H-imidazole

2,5-bis(1-adamantyl)-1H-imidazole (PubChem CID 56946897) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2,5-bis(1-adamantyl)-1H-imidazole.

Molecular Properties

Compound Name2,5-bis(1-adamantyl)-1H-imidazole
PubChem CID56946897
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name2,5-bis(1-adamantyl)-1H-imidazole
SMILESc1nc(C23CC4CC(CC(C4)C2)C3)[nH]c1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2/c1-14-2-16-3-15(1)8-22(7-14,9-16)20-13-24-21(25-20)23-10-17-4-18(11-23)6-19(5-17)12-23/h13-19H,1-12H2,(H,24,25)
InChIKeyUOBFHKYJLGZSAW-UHFFFAOYSA-N
XLogP5.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1-adamantyl)-1H-imidazole?
The IUPAC name of 2,5-bis(1-adamantyl)-1H-imidazole (CID 56946897) is 2,5-bis(1-adamantyl)-1H-imidazole.
What is the SMILES notation for 2,5-bis(1-adamantyl)-1H-imidazole?
The canonical SMILES for 2,5-bis(1-adamantyl)-1H-imidazole is c1nc(C23CC4CC(CC(C4)C2)C3)[nH]c1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2,5-bis(1-adamantyl)-1H-imidazole?
The InChIKey is UOBFHKYJLGZSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-14-2-16-3-15(1)8-22(7-14,9-16)20-13-24-21(25-20)23-10-17-4-18(11-23)6-19(5-17)12-23/h13-19H,1-12H2,(H,24,25).
What are the key properties of 2,5-bis(1-adamantyl)-1H-imidazole?
2,5-bis(1-adamantyl)-1H-imidazole has a molecular weight of 336.52 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1-adamantyl)-1H-imidazole is sourced from PubChem (CID 56946897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).