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

C21H23ClF3N5O2 — CID 44816141

IUPAC2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Cn2ccc(N3CCNC3=O)n2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H23ClF3N5O2/c22-17-6-3-14(21(23,24)25)11-16(17)19(31)27-15-4-1-13(2-5-15)12-29-9-7-18(28-29)30-10-8-26-20(30)32/h3,6-7,9,11,13,15H,1-2,4-5,8,10,12H2,(H,26,32)(H,27,31)
InChIKeyYPJPOBMCXNYBOD-UHFFFAOYSA-N
MW469.90 g/mol
LogP4.07
Rot. Bonds5

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

2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 44816141) has the molecular formula C21H23ClF3N5O2 and a molecular weight of 469.90 g/mol. Its IUPAC name is 2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID44816141
Molecular FormulaC21H23ClF3N5O2
Molecular Weight469.90 g/mol
Exact Mass469.15
IUPAC Name2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Cn2ccc(N3CCNC3=O)n2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H23ClF3N5O2/c22-17-6-3-14(21(23,24)25)11-16(17)19(31)27-15-4-1-13(2-5-15)12-29-9-7-18(28-29)30-10-8-26-20(30)32/h3,6-7,9,11,13,15H,1-2,4-5,8,10,12H2,(H,26,32)(H,27,31)
InChIKeyYPJPOBMCXNYBOD-UHFFFAOYSA-N
XLogP4.07
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 44816141) is 2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is O=C(NC1CCC(Cn2ccc(N3CCNC3=O)n2)CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is YPJPOBMCXNYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N5O2/c22-17-6-3-14(21(23,24)25)11-16(17)19(31)27-15-4-1-13(2-5-15)12-29-9-7-18(28-29)30-10-8-26-20(30)32/h3,6-7,9,11,13,15H,1-2,4-5,8,10,12H2,(H,26,32)(H,27,31).
What are the key properties of 2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 469.90 g/mol, XLogP of 4.07, 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-[[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44816141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).