N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine

C12H20F3N3O3S — CID 175418648

IUPACN-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine
SMILESCCS(=O)(=O)c1c(NC(C)(C)C)nc(OCC(F)(F)F)n1C
InChIInChI=1S/C12H20F3N3O3S/c1-6-22(19,20)9-8(17-11(2,3)4)16-10(18(9)5)21-7-12(13,14)15/h17H,6-7H2,1-5H3
InChIKeyIXQBMCOJGUNUNH-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.37
Rot. Bonds5

About N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine

N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine (PubChem CID 175418648) has the molecular formula C12H20F3N3O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine.

Molecular Properties

Compound NameN-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine
PubChem CID175418648
Molecular FormulaC12H20F3N3O3S
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC NameN-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine
SMILESCCS(=O)(=O)c1c(NC(C)(C)C)nc(OCC(F)(F)F)n1C
InChIInChI=1S/C12H20F3N3O3S/c1-6-22(19,20)9-8(17-11(2,3)4)16-10(18(9)5)21-7-12(13,14)15/h17H,6-7H2,1-5H3
InChIKeyIXQBMCOJGUNUNH-UHFFFAOYSA-N
XLogP2.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazole-4-carboxylate
CID 162739775
N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 115498610
methyl 2-[[[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethylsulfonyl)benzoate
CID 165178158
ethyl 2-[[4-methyl-5-oxo-3-(2,2,2-trifluoroethoxy)-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoate
CID 23295713
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 163759366
6-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 167424686
1,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazole-3-carboxylic acid
CID 154037045
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
2-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-6-(trifluoromethoxy)-3H-isoindol-1-one
CID 167424693
2-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-6-(trifluoromethylsulfonyl)-3H-isoindol-1-one
CID 165147732
2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 142468729

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine?
The IUPAC name of N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine (CID 175418648) is N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine.
What is the SMILES notation for N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine?
The canonical SMILES for N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine is CCS(=O)(=O)c1c(NC(C)(C)C)nc(OCC(F)(F)F)n1C.
What is the InChIKey of N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine?
The InChIKey is IXQBMCOJGUNUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3S/c1-6-22(19,20)9-8(17-11(2,3)4)16-10(18(9)5)21-7-12(13,14)15/h17H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine?
N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine has a molecular weight of 343.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethylsulfonyl-1-methyl-2-(2,2,2-trifluoroethoxy)imidazol-4-amine is sourced from PubChem (CID 175418648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).