2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide

C25H26BrCl2N3O — CID 161162755

IUPAC2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide
SMILESCc1c(CC(=O)N(C)C2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C25H26BrCl2N3O/c1-16-23(15-24(32)30(2)19-6-4-3-5-7-19)29-25(21-13-10-18(27)14-22(21)28)31(16)20-11-8-17(26)9-12-20/h8-14,19H,3-7,15H2,1-2H3
InChIKeyUQDFQXMBJPYEDF-UHFFFAOYSA-N
MW535.31 g/mol
LogP7.25
Rot. Bonds5

About 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide

2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 161162755) has the molecular formula C25H26BrCl2N3O and a molecular weight of 535.31 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID161162755
Molecular FormulaC25H26BrCl2N3O
Molecular Weight535.31 g/mol
Exact Mass533.06
IUPAC Name2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide
SMILESCc1c(CC(=O)N(C)C2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C25H26BrCl2N3O/c1-16-23(15-24(32)30(2)19-6-4-3-5-7-19)29-25(21-13-10-18(27)14-22(21)28)31(16)20-11-8-17(26)9-12-20/h8-14,19H,3-7,15H2,1-2H3
InChIKeyUQDFQXMBJPYEDF-UHFFFAOYSA-N
XLogP7.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.31
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone
CID 59232546
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11375615
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-[4-(3-isothiocyanatoprop-1-ynyl)phenyl]-N,5-dimethylimidazole-4-carboxamide
CID 143259857
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclohexyl-1,3,4-oxadiazole
CID 24994326
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide
CID 58961385
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 159297926
2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 112768368
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
[4-[4-[amino(cyclohexyl)carbamothioyl]-2-(2,4-dichlorophenyl)-5-methylimidazol-1-yl]phenyl] 3-fluoropropane-1-sulfonate
CID 91334466
ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
CID 59863038
N-cyclohexyl-2-[[(1R)-1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]-N-methylacetamide
CID 97021654
2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11213299

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide (CID 161162755) is 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide is Cc1c(CC(=O)N(C)C2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is UQDFQXMBJPYEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrCl2N3O/c1-16-23(15-24(32)30(2)19-6-4-3-5-7-19)29-25(21-13-10-18(27)14-22(21)28)31(16)20-11-8-17(26)9-12-20/h8-14,19H,3-7,15H2,1-2H3.
What are the key properties of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide?
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 535.31 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 161162755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).