1-(1-adamantyl)-4,5-dihydroimidazol-2-olate

C13H19N2O- — CID 155607991

IUPAC1-(1-adamantyl)-4,5-dihydroimidazol-2-olate
SMILES[O-]C1=NCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20N2O/c16-12-14-1-2-15(12)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,16)/p-1
InChIKeyAJQSMFZHHUBFHX-UHFFFAOYSA-M
MW219.31 g/mol
LogP0.99
Rot. Bonds1

About 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate

1-(1-adamantyl)-4,5-dihydroimidazol-2-olate (PubChem CID 155607991) has the molecular formula C13H19N2O- and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate.

Molecular Properties

Compound Name1-(1-adamantyl)-4,5-dihydroimidazol-2-olate
PubChem CID155607991
Molecular FormulaC13H19N2O-
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Name1-(1-adamantyl)-4,5-dihydroimidazol-2-olate
SMILES[O-]C1=NCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20N2O/c16-12-14-1-2-15(12)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,16)/p-1
InChIKeyAJQSMFZHHUBFHX-UHFFFAOYSA-M
XLogP0.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(1-adamantyl)imidazolidine;hydrochloride
CID 131637532
1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate
CID 175221269
1-(1-adamantyl)imidazole;hydroiodide
CID 175044894
1-(1-adamantyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 68613412
1-(1-adamantyl)tetrazol-5-amine
CID 23008813
1-(1-adamantyl)-4-methylpyrazole
CID 142764574
1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 4264866
(5S,7R)-3-(3-chloro-1,2,4-triazol-1-yl)adamantan-1-ol
CID 709729
N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine
CID 71060669
[4-(1-adamantyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 5141037
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
2-(1-adamantyl)-4-chloro-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 4892092

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate?
The IUPAC name of 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate (CID 155607991) is 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate.
What is the SMILES notation for 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate?
The canonical SMILES for 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate is [O-]C1=NCCN1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate?
The InChIKey is AJQSMFZHHUBFHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20N2O/c16-12-14-1-2-15(12)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,16)/p-1.
What are the key properties of 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate?
1-(1-adamantyl)-4,5-dihydroimidazol-2-olate has a molecular weight of 219.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4,5-dihydroimidazol-2-olate is sourced from PubChem (CID 155607991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).