1,5-bis(1-adamantyl)imidazole

C23H32N2 — CID 57341584

IUPAC1,5-bis(1-adamantyl)imidazole
SMILESc1ncn(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2/c1-15-2-17-3-16(1)8-22(7-15,9-17)21-13-24-14-25(21)23-10-18-4-19(11-23)6-20(5-18)12-23/h13-20H,1-12H2
InChIKeyJBHSRWFNVZUHSE-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.28
Rot. Bonds2

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

1,5-bis(1-adamantyl)imidazole (PubChem CID 57341584) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1,5-bis(1-adamantyl)imidazole.

Molecular Properties

Compound Name1,5-bis(1-adamantyl)imidazole
PubChem CID57341584
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name1,5-bis(1-adamantyl)imidazole
SMILESc1ncn(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2/c1-15-2-17-3-16(1)8-22(7-15,9-17)21-13-24-14-25(21)23-10-18-4-19(11-23)6-20(5-18)12-23/h13-20H,1-12H2
InChIKeyJBHSRWFNVZUHSE-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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Related Compounds

5-(1-adamantyl)-2-methyl-1H-imidazole
CID 3116427
1,5-Dicyclohexylimidazole
CID 719789
N-(1-adamantyl)-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine;dihydrochloride
CID 9843092
4-(1-Adamantyl)imidazole
CID 11171686
2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 4286313
N-(1-adamantyl)-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine
CID 9843093
2-(3,4-Dicyclohexylimidazol-1-ium-1-yl)acetonitrile bromide
CID 10154985
2-(3,4-Dicyclohexylimidazol-1-ium-1-yl)acetonitrile
CID 10154986
2,5-bis(1-adamantyl)-1H-imidazole
CID 56946897
2-(1-Adamantyl)-1,5-dimethylimidazole
CID 57914142
1-(Cyclohexylmethyl)-5-(3,3-dimethylbutyl)imidazole
CID 59830927
1,2,4-Tris(1-adamantyl)imidazole
CID 69224042

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1-adamantyl)imidazole?
The IUPAC name of 1,5-bis(1-adamantyl)imidazole (CID 57341584) is 1,5-bis(1-adamantyl)imidazole.
What is the SMILES notation for 1,5-bis(1-adamantyl)imidazole?
The canonical SMILES for 1,5-bis(1-adamantyl)imidazole is c1ncn(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1,5-bis(1-adamantyl)imidazole?
The InChIKey is JBHSRWFNVZUHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-15-2-17-3-16(1)8-22(7-15,9-17)21-13-24-14-25(21)23-10-18-4-19(11-23)6-20(5-18)12-23/h13-20H,1-12H2.
What are the key properties of 1,5-bis(1-adamantyl)imidazole?
1,5-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 1,5-bis(1-adamantyl)imidazole is sourced from PubChem (CID 57341584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).