1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one

C18H24N2O — CID 11996216

IUPAC1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1nc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C18H24N2O/c1-4-5-6-10-13-17(21)18-14(2)20(15(3)19-18)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13H2,1-3H3
InChIKeyYPMYXURZJZSNSB-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.64
Rot. Bonds7

About 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one

1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one (PubChem CID 11996216) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one
PubChem CID11996216
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1nc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C18H24N2O/c1-4-5-6-10-13-17(21)18-14(2)20(15(3)19-18)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13H2,1-3H3
InChIKeyYPMYXURZJZSNSB-UHFFFAOYSA-N
XLogP4.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one?
The IUPAC name of 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one (CID 11996216) is 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one.
What is the SMILES notation for 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one?
The canonical SMILES for 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one is CCCCCCC(=O)c1nc(C)n(-c2ccccc2)c1C.
What is the InChIKey of 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one?
The InChIKey is YPMYXURZJZSNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-5-6-10-13-17(21)18-14(2)20(15(3)19-18)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one?
1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one is sourced from PubChem (CID 11996216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).