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Imanixil

CAT: 0127-BUP04249-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04249-03Size:10 mg
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CAS Number
75689-93-9
Synonyms
HOE-402 free base
Purity
=98%
Smiles
CC1(C)CN(C(=O)N1)c1ncc(C(=O)Nc2cccc(c2)C(F)(F)F)c(N)n1

Chemical Information

Imanixil

Imanixil is a small molecule drug. Imanixil has a monoisotopic molecular weight of 394.14 Da.

CAS Number75689-93-9
PubChem CID216289
IUPAC Name4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
Molecular FormulaC17H17F3N6O2
Molecular Weight394.4
XLogP2
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity614
SMILES
CC1(CN(C(=O)N1)C2=NC=C(C(=N2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C
InChI
InChI=1S/C17H17F3N6O2/c1-16(2)8-26(15(28)25-16)14-22-7-11(12(21)24-14)13(27)23-10-5-3-4-9(6-10)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,27)(H,25,28)(H2,21,22,24)
InChIKey
FUSNOPLQVRUIIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imanixil
CAS: 75689-93-9
CID: 216289
Formula: C17H17F3N6O2
MW: 394.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass394.13650829
Monoisotopic Mass394.13650829
Topological Polar Surface Area113 Ų
Heavy Atom Count28
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7860-10Imanixil
HY-101529RImanixil (Standard)

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