1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

C17H21N3O — CID 162721818

IUPAC1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1ncc(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-6-8-14(9-7-12)15-11-18-17(19-15)16-5-3-4-10-20(16)13(2)21/h6-9,11,16H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyZSUSIDRJRJSEJV-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.46
Rot. Bonds2

About 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 162721818) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID162721818
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1ncc(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-6-8-14(9-7-12)15-11-18-17(19-15)16-5-3-4-10-20(16)13(2)21/h6-9,11,16H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyZSUSIDRJRJSEJV-UHFFFAOYSA-N
XLogP3.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
(2S)-2,3-dimethyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one;sulfane
CID 158239742
[(2R)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 95771955
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
[(1R,2S)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(1S,2R)-2-(carboxyamino)cyclohexanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]cyclohexyl]carbamic acid
CID 69073126
1-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 138046241
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
[(2S)-4-[2-[5-[4-[4-[2-[1-[(3S)-3-(carboxyamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxobutan-2-yl]carbamic acid
CID 69074560
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67414908
2-cyclohexyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-cyclohexyl-2-hydroxyacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 143630344
methyl N-[(1S)-3-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(1R,3S)-3-(methoxycarbonylamino)cyclopentanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate
CID 71249783

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (CID 162721818) is 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1ncc(-c2ccc(C)cc2)[nH]1.
What is the InChIKey of 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZSUSIDRJRJSEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-6-8-14(9-7-12)15-11-18-17(19-15)16-5-3-4-10-20(16)13(2)21/h6-9,11,16H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 283.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 162721818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).