1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one

C17H22N2O — CID 58695744

IUPAC1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ncn(-c2ccccc2)c1C
InChIInChI=1S/C17H22N2O/c1-3-4-5-9-12-16(20)17-14(2)19(13-18-17)15-10-7-6-8-11-15/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKeyCGGMBGWHXHAMCQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.33
Rot. Bonds7

About 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one

1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one (PubChem CID 58695744) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one
PubChem CID58695744
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ncn(-c2ccccc2)c1C
InChIInChI=1S/C17H22N2O/c1-3-4-5-9-12-16(20)17-14(2)19(13-18-17)15-10-7-6-8-11-15/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKeyCGGMBGWHXHAMCQ-UHFFFAOYSA-N
XLogP4.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.33
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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Related Compounds

1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one
CID 11996216
1-(2,4-dimethyl-1-phenylpyrrol-3-yl)dodecan-1-one
CID 57328201
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
1-phenylheptadecan-1-one
CID 577626
1-(1-phenylpyrazol-4-yl)heptan-1-one
CID 114752131
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
(5-methyl-2-phenylpyrazol-3-yl) heptanoate
CID 155801802
4-hydroxy-1-(5-methyl-1-tritylimidazol-4-yl)butan-1-one
CID 59725813
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-pyridin-2-ylhexan-1-one
CID 556347

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one?
The IUPAC name of 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one (CID 58695744) is 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one.
What is the SMILES notation for 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one?
The canonical SMILES for 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one is CCCCCCC(=O)c1ncn(-c2ccccc2)c1C.
What is the InChIKey of 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one?
The InChIKey is CGGMBGWHXHAMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-5-9-12-16(20)17-14(2)19(13-18-17)15-10-7-6-8-11-15/h6-8,10-11,13H,3-5,9,12H2,1-2H3.
What are the key properties of 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one?
1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one has a molecular weight of 270.38 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one is sourced from PubChem (CID 58695744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).