N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide

C21H26F3N3O6 — CID 3294101

IUPACN-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(CC3CCCCC3)C2=O)c(OC)c1OC
InChIInChI=1S/C21H26F3N3O6/c1-31-14-10-9-13(15(32-2)16(14)33-3)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyCDSHPZDBZVXDMN-UHFFFAOYSA-N
MW473.45 g/mol
LogP2.83
Rot. Bonds7

About N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide

N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide (PubChem CID 3294101) has the molecular formula C21H26F3N3O6 and a molecular weight of 473.45 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
PubChem CID3294101
Molecular FormulaC21H26F3N3O6
Molecular Weight473.45 g/mol
Exact Mass473.18
IUPAC NameN-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(CC3CCCCC3)C2=O)c(OC)c1OC
InChIInChI=1S/C21H26F3N3O6/c1-31-14-10-9-13(15(32-2)16(14)33-3)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyCDSHPZDBZVXDMN-UHFFFAOYSA-N
XLogP2.83
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
CID 2066814
N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide
CID 2002483
N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 40936967
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
N-[(4S)-1-[(2,3-dimethoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2024553
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074
3,4-dimethoxy-N-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2065636
4-chloro-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3785162
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 2968794
N-[(4R)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41064341

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide (CID 3294101) is N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(CC3CCCCC3)C2=O)c(OC)c1OC.
What is the InChIKey of N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide?
The InChIKey is CDSHPZDBZVXDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O6/c1-31-14-10-9-13(15(32-2)16(14)33-3)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide?
N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide has a molecular weight of 473.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 3294101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).