N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide

C24H26F3N5O4 — CID 87952282

IUPACN-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide
SMILESCN1CCC(c2cnccc2C(NC=O)C2(C)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C24H26F3N5O4/c1-23(20(29-14-33)18-7-10-28-13-19(18)15-8-11-31(2)12-9-15)21(34)32(22(35)30-23)16-3-5-17(6-4-16)36-24(25,26)27/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,29,33)(H,30,35)
InChIKeyHVXMEVFNARESDS-UHFFFAOYSA-N
MW505.50 g/mol
LogP3.09
Rot. Bonds7

About N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide

N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide (PubChem CID 87952282) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide
PubChem CID87952282
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC NameN-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide
SMILESCN1CCC(c2cnccc2C(NC=O)C2(C)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C24H26F3N5O4/c1-23(20(29-14-33)18-7-10-28-13-19(18)15-8-11-31(2)12-9-15)21(34)32(22(35)30-23)16-3-5-17(6-4-16)36-24(25,26)27/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,29,33)(H,30,35)
InChIKeyHVXMEVFNARESDS-UHFFFAOYSA-N
XLogP3.09
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide?
The IUPAC name of N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide (CID 87952282) is N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide is CN1CCC(c2cnccc2C(NC=O)C2(C)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1.
What is the InChIKey of N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide?
The InChIKey is HVXMEVFNARESDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c1-23(20(29-14-33)18-7-10-28-13-19(18)15-8-11-31(2)12-9-15)21(34)32(22(35)30-23)16-3-5-17(6-4-16)36-24(25,26)27/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,29,33)(H,30,35).
What are the key properties of N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide?
N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide has a molecular weight of 505.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-yl]-[3-(1-methylpiperidin-4-yl)-4-pyridinyl]methyl]formamide is sourced from PubChem (CID 87952282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).