1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one

C17H24N2O — CID 115811939

IUPAC1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H24N2O/c1-19-5-4-18-16(19)3-2-15(20)17-13-7-11-6-12(9-13)10-14(17)8-11/h4-5,11-14,17H,2-3,6-10H2,1H3
InChIKeyHMEAGWZSHBZPDD-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 115811939) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID115811939
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H24N2O/c1-19-5-4-18-16(19)3-2-15(20)17-13-7-11-6-12(9-13)10-14(17)8-11/h4-5,11-14,17H,2-3,6-10H2,1H3
InChIKeyHMEAGWZSHBZPDD-UHFFFAOYSA-N
XLogP2.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533209
1-(1,4-dioxan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811960
1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529463
1-(2-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533280
3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one
CID 114533270
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
1-(azepan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533288
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
[1-(2-adamantyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105323042

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 115811939) is 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1CCC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is HMEAGWZSHBZPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-5-4-18-16(19)3-2-15(20)17-13-7-11-6-12(9-13)10-14(17)8-11/h4-5,11-14,17H,2-3,6-10H2,1H3.
What are the key properties of 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 115811939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).