1-(1-adamantyl)imidazole;hydroiodide

C13H19IN2 — CID 175044894

IUPAC1-(1-adamantyl)imidazole;hydroiodide
SMILESI.c1cn(C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C13H18N2.HI/c1-2-15(9-14-1)13-6-10-3-11(7-13)5-12(4-10)8-13;/h1-2,9-12H,3-8H2;1H
InChIKeyCBMKOZFPDVZIKS-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.43
Rot. Bonds1

About 1-(1-adamantyl)imidazole;hydroiodide

1-(1-adamantyl)imidazole;hydroiodide (PubChem CID 175044894) has the molecular formula C13H19IN2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(1-adamantyl)imidazole;hydroiodide.

Molecular Properties

Compound Name1-(1-adamantyl)imidazole;hydroiodide
PubChem CID175044894
Molecular FormulaC13H19IN2
Molecular Weight330.21 g/mol
Exact Mass330.06
IUPAC Name1-(1-adamantyl)imidazole;hydroiodide
SMILESI.c1cn(C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C13H18N2.HI/c1-2-15(9-14-1)13-6-10-3-11(7-13)5-12(4-10)8-13;/h1-2,9-12H,3-8H2;1H
InChIKeyCBMKOZFPDVZIKS-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole
CID 21424079
1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
(1-imidazol-1-ylcyclooctyl)methanamine
CID 82507469
1-(2-methyl-1,3-dioxolan-2-yl)imidazole
CID 66688291
1-[2-(1-adamantyl)-2-phenylsulfanylethyl]imidazole
CID 21424033
1,3-bis(1-adamantyl)imidazol-1-ium bromide
CID 87130009
1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole
CID 139835335
4-[3-[3-(1,2,4-triazol-4-yl)-1-adamantyl]-1-adamantyl]-1,2,4-triazole
CID 91440020
1-(1-adamantyl)-4,5-dihydroimidazol-2-olate
CID 155607991
1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole
CID 174800005
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 70755285

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)imidazole;hydroiodide?
The IUPAC name of 1-(1-adamantyl)imidazole;hydroiodide (CID 175044894) is 1-(1-adamantyl)imidazole;hydroiodide.
What is the SMILES notation for 1-(1-adamantyl)imidazole;hydroiodide?
The canonical SMILES for 1-(1-adamantyl)imidazole;hydroiodide is I.c1cn(C23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of 1-(1-adamantyl)imidazole;hydroiodide?
The InChIKey is CBMKOZFPDVZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.HI/c1-2-15(9-14-1)13-6-10-3-11(7-13)5-12(4-10)8-13;/h1-2,9-12H,3-8H2;1H.
What are the key properties of 1-(1-adamantyl)imidazole;hydroiodide?
1-(1-adamantyl)imidazole;hydroiodide has a molecular weight of 330.21 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)imidazole;hydroiodide is sourced from PubChem (CID 175044894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).