1-adamantyl(1H-imidazol-2-yl)methanone

C14H18N2O — CID 69159284

IUPAC1-adamantyl(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H18N2O/c17-12(13-15-1-2-16-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16)
InChIKeyALDRABWMAKZBHU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.81
Rot. Bonds2

About 1-adamantyl(1H-imidazol-2-yl)methanone

1-adamantyl(1H-imidazol-2-yl)methanone (PubChem CID 69159284) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-adamantyl(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(1H-imidazol-2-yl)methanone
PubChem CID69159284
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-adamantyl(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H18N2O/c17-12(13-15-1-2-16-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16)
InChIKeyALDRABWMAKZBHU-UHFFFAOYSA-N
XLogP2.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1H-imidazol-2-yl)methanone?
The IUPAC name of 1-adamantyl(1H-imidazol-2-yl)methanone (CID 69159284) is 1-adamantyl(1H-imidazol-2-yl)methanone.
What is the SMILES notation for 1-adamantyl(1H-imidazol-2-yl)methanone?
The canonical SMILES for 1-adamantyl(1H-imidazol-2-yl)methanone is O=C(c1ncc[nH]1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(1H-imidazol-2-yl)methanone?
The InChIKey is ALDRABWMAKZBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-12(13-15-1-2-16-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16).
What are the key properties of 1-adamantyl(1H-imidazol-2-yl)methanone?
1-adamantyl(1H-imidazol-2-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 69159284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).