10-(1H-imidazol-5-yl)decan-2-one

C13H22N2O — CID 170211337

IUPAC10-(1H-imidazol-5-yl)decan-2-one
SMILESCC(=O)CCCCCCCCc1cnc[nH]1
InChIInChI=1S/C13H22N2O/c1-12(16)8-6-4-2-3-5-7-9-13-10-14-11-15-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyAHQOWHFVKPMUEU-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.27
Rot. Bonds9

About 10-(1H-imidazol-5-yl)decan-2-one

10-(1H-imidazol-5-yl)decan-2-one (PubChem CID 170211337) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 10-(1H-imidazol-5-yl)decan-2-one.

Molecular Properties

Compound Name10-(1H-imidazol-5-yl)decan-2-one
PubChem CID170211337
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name10-(1H-imidazol-5-yl)decan-2-one
SMILESCC(=O)CCCCCCCCc1cnc[nH]1
InChIInChI=1S/C13H22N2O/c1-12(16)8-6-4-2-3-5-7-9-13-10-14-11-15-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyAHQOWHFVKPMUEU-UHFFFAOYSA-N
XLogP3.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(1H-imidazol-5-yl)hexanoate
CID 151564733
5-hexyl-1H-imidazole
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10-(1H-imidazol-5-yl)decane-1,1-diol
CID 150316207
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid
CID 70485343
N-[(3S)-3-amino-4-(1H-imidazol-5-yl)-2-oxobutyl]-6-oxoheptanamide
CID 118473277
octyl 3-(1H-imidazol-5-yl)propanoate
CID 25133716
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
5-(10-pyrrolidin-1-yldecyl)-1H-imidazole
CID 11231249

Frequently Asked Questions

What is the IUPAC name of 10-(1H-imidazol-5-yl)decan-2-one?
The IUPAC name of 10-(1H-imidazol-5-yl)decan-2-one (CID 170211337) is 10-(1H-imidazol-5-yl)decan-2-one.
What is the SMILES notation for 10-(1H-imidazol-5-yl)decan-2-one?
The canonical SMILES for 10-(1H-imidazol-5-yl)decan-2-one is CC(=O)CCCCCCCCc1cnc[nH]1.
What is the InChIKey of 10-(1H-imidazol-5-yl)decan-2-one?
The InChIKey is AHQOWHFVKPMUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(16)8-6-4-2-3-5-7-9-13-10-14-11-15-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of 10-(1H-imidazol-5-yl)decan-2-one?
10-(1H-imidazol-5-yl)decan-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-imidazol-5-yl)decan-2-one is sourced from PubChem (CID 170211337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).