2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C23H21ClF3N3O2 — CID 58012243

IUPAC2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1c(-c2ccc(Cl)cc2)n(C2CC2)c(=O)n1CC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21ClF3N3O2/c1-14-21(16-5-7-18(24)8-6-16)30(19-9-10-19)22(32)29(14)13-20(31)28-12-15-3-2-4-17(11-15)23(25,26)27/h2-8,11,19H,9-10,12-13H2,1H3,(H,28,31)
InChIKeyNFVAGQHDHNSOBR-UHFFFAOYSA-N
MW463.89 g/mol
LogP4.95
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 58012243) has the molecular formula C23H21ClF3N3O2 and a molecular weight of 463.89 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID58012243
Molecular FormulaC23H21ClF3N3O2
Molecular Weight463.89 g/mol
Exact Mass463.13
IUPAC Name2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1c(-c2ccc(Cl)cc2)n(C2CC2)c(=O)n1CC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21ClF3N3O2/c1-14-21(16-5-7-18(24)8-6-16)30(19-9-10-19)22(32)29(14)13-20(31)28-12-15-3-2-4-17(11-15)23(25,26)27/h2-8,11,19H,9-10,12-13H2,1H3,(H,28,31)
InChIKeyNFVAGQHDHNSOBR-UHFFFAOYSA-N
XLogP4.95
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 71174733
2-[3-(4-chlorophenyl)-5-oxo-1-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
CID 58012006
2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 58011880
2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 58012179
2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011770
2-[3-(4-chlorophenyl)-5-oxo-4-prop-1-enyl-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 68862724
2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 27515071
2-[3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011685
3-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100765319
2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011683
N-benzyl-2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 58011772
2-(4-chlorophenyl)-N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 58012243) is 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1c(-c2ccc(Cl)cc2)n(C2CC2)c(=O)n1CC(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is NFVAGQHDHNSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O2/c1-14-21(16-5-7-18(24)8-6-16)30(19-9-10-19)22(32)29(14)13-20(31)28-12-15-3-2-4-17(11-15)23(25,26)27/h2-8,11,19H,9-10,12-13H2,1H3,(H,28,31).
What are the key properties of 2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 463.89 g/mol, XLogP of 4.95, 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-5-methyl-2-oxoimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 58012243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).