2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide

C21H21BrClN3O2 — CID 90370320

IUPAC2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1c(-c2cccc(Cl)c2)n(CC(=O)NC(C)C)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C21H21BrClN3O2/c1-13(2)24-19(27)12-25-20(15-5-4-6-17(23)11-15)14(3)26(21(25)28)18-9-7-16(22)8-10-18/h4-11,13H,12H2,1-3H3,(H,24,27)
InChIKeyZPPZTRANQJPMIJ-UHFFFAOYSA-N
MW462.78 g/mol
LogP4.55
Rot. Bonds5

About 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide

2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370320) has the molecular formula C21H21BrClN3O2 and a molecular weight of 462.78 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370320
Molecular FormulaC21H21BrClN3O2
Molecular Weight462.78 g/mol
Exact Mass461.05
IUPAC Name2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1c(-c2cccc(Cl)c2)n(CC(=O)NC(C)C)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C21H21BrClN3O2/c1-13(2)24-19(27)12-25-20(15-5-4-6-17(23)11-15)14(3)26(21(25)28)18-9-7-16(22)8-10-18/h4-11,13H,12H2,1-3H3,(H,24,27)
InChIKeyZPPZTRANQJPMIJ-UHFFFAOYSA-N
XLogP4.55
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide (CID 90370320) is 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide is Cc1c(-c2cccc(Cl)c2)n(CC(=O)NC(C)C)c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZPPZTRANQJPMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrClN3O2/c1-13(2)24-19(27)12-25-20(15-5-4-6-17(23)11-15)14(3)26(21(25)28)18-9-7-16(22)8-10-18/h4-11,13H,12H2,1-3H3,(H,24,27).
What are the key properties of 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide?
2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 462.78 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).