4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide

C25H25F3N4O2 — CID 141097158

IUPAC4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
SMILESCC1(C)CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccncc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H25F3N4O2/c1-24(2)16-31(20-8-10-21(11-9-20)34-25(26,27)28)17-32(24)15-18-12-13-29-14-22(18)23(33)30-19-6-4-3-5-7-19/h3-14H,15-17H2,1-2H3,(H,30,33)
InChIKeyLENPMQBALBIVKN-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.29
Rot. Bonds6

About 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide

4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide (PubChem CID 141097158) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
PubChem CID141097158
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
SMILESCC1(C)CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccncc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H25F3N4O2/c1-24(2)16-31(20-8-10-21(11-9-20)34-25(26,27)28)17-32(24)15-18-12-13-29-14-22(18)23(33)30-19-6-4-3-5-7-19/h3-14H,15-17H2,1-2H3,(H,30,33)
InChIKeyLENPMQBALBIVKN-UHFFFAOYSA-N
XLogP5.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
CID 141097279
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
CID 141097465
4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide
CID 141097265
N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 141097531
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 174743055
N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
CID 141097721
2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 70804901
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
tert-butyl 4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxylate
CID 141097685
1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90922879

Frequently Asked Questions

What is the IUPAC name of 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide (CID 141097158) is 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide is CC1(C)CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is LENPMQBALBIVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-24(2)16-31(20-8-10-21(11-9-20)34-25(26,27)28)17-32(24)15-18-12-13-29-14-22(18)23(33)30-19-6-4-3-5-7-19/h3-14H,15-17H2,1-2H3,(H,30,33).
What are the key properties of 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide?
4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 141097158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).