N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide

C22H23F3N4O2 — CID 53187627

IUPACN-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H23F3N4O2/c23-22(24,25)18-9-5-4-8-17(18)20(30)27-15-10-11-19(26-14-15)29-13-12-28(21(29)31)16-6-2-1-3-7-16/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,27,30)
InChIKeyVHXKMLIWMYRWDL-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.93
Rot. Bonds4

About N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide (PubChem CID 53187627) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide
PubChem CID53187627
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC NameN-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H23F3N4O2/c23-22(24,25)18-9-5-4-8-17(18)20(30)27-15-10-11-19(26-14-15)29-13-12-28(21(29)31)16-6-2-1-3-7-16/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,27,30)
InChIKeyVHXKMLIWMYRWDL-UHFFFAOYSA-N
XLogP4.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 53187638
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]furan-3-carboxamide
CID 53187607
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3-methylbenzamide
CID 53187620
3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187744
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]thiophene-3-carboxamide
CID 53187755
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 53187724
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]pentanamide
CID 53187776
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 53187779
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 42857932
N-[6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 42857478
N-[6-[4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 42857690

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide (CID 53187627) is N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide is O=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VHXKMLIWMYRWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c23-22(24,25)18-9-5-4-8-17(18)20(30)27-15-10-11-19(26-14-15)29-13-12-28(21(29)31)16-6-2-1-3-7-16/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,27,30).
What are the key properties of N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide?
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide has a molecular weight of 432.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 53187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).