2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C23H21ClF3N3O2 — CID 58011689

IUPAC2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21ClF3N3O2/c1-14(16-3-2-4-17(11-16)23(25,26)27)28-21(31)13-29-12-20(15-5-7-18(24)8-6-15)30(22(29)32)19-9-10-19/h2-8,11-12,14,19H,9-10,13H2,1H3,(H,28,31)
InChIKeySYEVARICUYEABJ-UHFFFAOYSA-N
MW463.89 g/mol
LogP5.20
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 58011689) has the molecular formula C23H21ClF3N3O2 and a molecular weight of 463.89 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID58011689
Molecular FormulaC23H21ClF3N3O2
Molecular Weight463.89 g/mol
Exact Mass463.13
IUPAC Name2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21ClF3N3O2/c1-14(16-3-2-4-17(11-16)23(25,26)27)28-21(31)13-29-12-20(15-5-7-18(24)8-6-15)30(22(29)32)19-9-10-19/h2-8,11-12,14,19H,9-10,13H2,1H3,(H,28,31)
InChIKeySYEVARICUYEABJ-UHFFFAOYSA-N
XLogP5.20
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.89
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 58011689) is 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(NC(=O)Cn1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is SYEVARICUYEABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O2/c1-14(16-3-2-4-17(11-16)23(25,26)27)28-21(31)13-29-12-20(15-5-7-18(24)8-6-15)30(22(29)32)19-9-10-19/h2-8,11-12,14,19H,9-10,13H2,1H3,(H,28,31).
What are the key properties of 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 463.89 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 58011689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).