1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea

C25H26F3N5OS — CID 141097279

IUPAC1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
SMILESCC1(C)CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)Nc1ccccc1
InChIInChI=1S/C25H26F3N5OS/c1-24(2)16-32(20-8-10-21(11-9-20)35-25(26,27)28)17-33(24)15-18-12-13-29-14-22(18)31-23(34)30-19-6-4-3-5-7-19/h3-14H,15-17H2,1-2H3,(H2,30,31,34)
InChIKeyUGPPCALGUZZVJW-UHFFFAOYSA-N
MW501.58 g/mol
LogP6.40
Rot. Bonds6

About 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea

1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea (PubChem CID 141097279) has the molecular formula C25H26F3N5OS and a molecular weight of 501.58 g/mol. Its IUPAC name is 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
PubChem CID141097279
Molecular FormulaC25H26F3N5OS
Molecular Weight501.58 g/mol
Exact Mass501.18
IUPAC Name1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
SMILESCC1(C)CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)Nc1ccccc1
InChIInChI=1S/C25H26F3N5OS/c1-24(2)16-32(20-8-10-21(11-9-20)35-25(26,27)28)17-33(24)15-18-12-13-29-14-22(18)31-23(34)30-19-6-4-3-5-7-19/h3-14H,15-17H2,1-2H3,(H2,30,31,34)
InChIKeyUGPPCALGUZZVJW-UHFFFAOYSA-N
XLogP6.40
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea with MolForge

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Related Compounds

N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
CID 141097721
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
CID 141097465
4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
CID 141097158
N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
CID 141097386
1-benzyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]urea
CID 68764737
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine
CID 141097173
[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl] benzoate
CID 141097439
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90884770
4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide
CID 141097417
ethyl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]carbamate
CID 91386174
8-methoxy-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]quinoline
CID 141097236
1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea
CID 67060654

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea (CID 141097279) is 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea is CC1(C)CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea?
The InChIKey is UGPPCALGUZZVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5OS/c1-24(2)16-32(20-8-10-21(11-9-20)35-25(26,27)28)17-33(24)15-18-12-13-29-14-22(18)31-23(34)30-19-6-4-3-5-7-19/h3-14H,15-17H2,1-2H3,(H2,30,31,34).
What are the key properties of 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea?
1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea has a molecular weight of 501.58 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 141097279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).