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

C20H19BrClN3O2 — CID 90370474

IUPAC2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn(-c2ccc(Br)cc2)c1=O
InChIInChI=1S/C20H19BrClN3O2/c1-13(2)23-19(26)12-25-18(14-4-3-5-16(22)10-14)11-24(20(25)27)17-8-6-15(21)7-9-17/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyJJEYSEAYCRYPOD-UHFFFAOYSA-N
MW448.75 g/mol
LogP4.25
Rot. Bonds5

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

2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370474) has the molecular formula C20H19BrClN3O2 and a molecular weight of 448.75 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370474
Molecular FormulaC20H19BrClN3O2
Molecular Weight448.75 g/mol
Exact Mass447.03
IUPAC Name2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn(-c2ccc(Br)cc2)c1=O
InChIInChI=1S/C20H19BrClN3O2/c1-13(2)23-19(26)12-25-18(14-4-3-5-16(22)10-14)11-24(20(25)27)17-8-6-15(21)7-9-17/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyJJEYSEAYCRYPOD-UHFFFAOYSA-N
XLogP4.25
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.75
LogP ≤ 54.25
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)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide (CID 90370474) is 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn(-c2ccc(Br)cc2)c1=O.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is JJEYSEAYCRYPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O2/c1-13(2)23-19(26)12-25-18(14-4-3-5-16(22)10-14)11-24(20(25)27)17-8-6-15(21)7-9-17/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide?
2-[3-(4-bromophenyl)-5-(3-chlorophenyl)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 448.75 g/mol, XLogP of 4.25, 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)-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).