[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone

C22H20BrCl2N3O — CID 59232546

IUPAC[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H20BrCl2N3O/c1-14-20(22(29)27-11-3-2-4-12-27)26-21(18-10-7-16(24)13-19(18)25)28(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3
InChIKeyZOLAIXHRRFEKQC-UHFFFAOYSA-N
MW493.23 g/mol
LogP6.54
Rot. Bonds3

About [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone

[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 59232546) has the molecular formula C22H20BrCl2N3O and a molecular weight of 493.23 g/mol. Its IUPAC name is [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone
PubChem CID59232546
Molecular FormulaC22H20BrCl2N3O
Molecular Weight493.23 g/mol
Exact Mass491.02
IUPAC Name[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H20BrCl2N3O/c1-14-20(22(29)27-11-3-2-4-12-27)26-21(18-10-7-16(24)13-19(18)25)28(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3
InChIKeyZOLAIXHRRFEKQC-UHFFFAOYSA-N
XLogP6.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.23
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11375615
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 159297926
2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11213299
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 59232528
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide
CID 161162755
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide;2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-pyridin-2-ylimidazole-4-carboxamide
CID 87794194
ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
CID 59863038
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfinyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 23654364
1-(4-chlorophenyl)-5-cyano-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
CID 11190694
2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxylic acid
CID 59465506
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclohexyl-1,3,4-oxadiazole
CID 24994326

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone (CID 59232546) is [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is ZOLAIXHRRFEKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrCl2N3O/c1-14-20(22(29)27-11-3-2-4-12-27)26-21(18-10-7-16(24)13-19(18)25)28(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone?
[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 493.23 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 59232546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).