N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide

C19H23F3N4O3S — CID 141097531

IUPACN-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide
SMILESCC1(C)CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H23F3N4O3S/c1-18(2)12-25(15-4-6-16(7-5-15)29-19(20,21)22)13-26(18)11-14-8-9-23-17(10-14)24-30(3,27)28/h4-10H,11-13H2,1-3H3,(H,23,24)
InChIKeyMUCJYFSXHDVDBW-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.41
Rot. Bonds6

About N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide

N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide (PubChem CID 141097531) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide
PubChem CID141097531
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC NameN-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide
SMILESCC1(C)CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H23F3N4O3S/c1-18(2)12-25(15-4-6-16(7-5-15)29-19(20,21)22)13-26(18)11-14-8-9-23-17(10-14)24-30(3,27)28/h4-10H,11-13H2,1-3H3,(H,23,24)
InChIKeyMUCJYFSXHDVDBW-UHFFFAOYSA-N
XLogP3.41
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 90901020
[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl] benzoate
CID 141097439
4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
CID 141097158
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide
CID 91607160
1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea
CID 141097717
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91252167
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 91578507
3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
CID 141097511
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
CID 90879070
4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 68766888
ethyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91613069
2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 175147349

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide (CID 141097531) is N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide is CC1(C)CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccnc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is MUCJYFSXHDVDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-18(2)12-25(15-4-6-16(7-5-15)29-19(20,21)22)13-26(18)11-14-8-9-23-17(10-14)24-30(3,27)28/h4-10H,11-13H2,1-3H3,(H,23,24).
What are the key properties of N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide?
N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 444.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 141097531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).