2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C22H25ClF3N5O2 — CID 67185290

IUPAC2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1cc(N2CCNC2=O)nn1CC1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C22H25ClF3N5O2/c1-13-10-19(30-9-8-27-21(30)33)29-31(13)12-14-2-5-16(6-3-14)28-20(32)17-11-15(22(24,25)26)4-7-18(17)23/h4,7,10-11,14,16H,2-3,5-6,8-9,12H2,1H3,(H,27,33)(H,28,32)
InChIKeyMLUKGHVPUZIXCC-UHFFFAOYSA-N
MW483.92 g/mol
LogP4.38
Rot. Bonds5

About 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 67185290) has the molecular formula C22H25ClF3N5O2 and a molecular weight of 483.92 g/mol. Its IUPAC name is 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID67185290
Molecular FormulaC22H25ClF3N5O2
Molecular Weight483.92 g/mol
Exact Mass483.16
IUPAC Name2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1cc(N2CCNC2=O)nn1CC1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C22H25ClF3N5O2/c1-13-10-19(30-9-8-27-21(30)33)29-31(13)12-14-2-5-16(6-3-14)28-20(32)17-11-15(22(24,25)26)4-7-18(17)23/h4,7,10-11,14,16H,2-3,5-6,8-9,12H2,1H3,(H,27,33)(H,28,32)
InChIKeyMLUKGHVPUZIXCC-UHFFFAOYSA-N
XLogP4.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 67185290) is 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is Cc1cc(N2CCNC2=O)nn1CC1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is MLUKGHVPUZIXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF3N5O2/c1-13-10-19(30-9-8-27-21(30)33)29-31(13)12-14-2-5-16(6-3-14)28-20(32)17-11-15(22(24,25)26)4-7-18(17)23/h4,7,10-11,14,16H,2-3,5-6,8-9,12H2,1H3,(H,27,33)(H,28,32).
What are the key properties of 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 483.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67185290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).