N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide

C19H15Cl3F2N4O3 — CID 25124636

IUPACN-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide
SMILESCN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(NC(=O)C(Cl)(Cl)Cl)c2)N=C1N
InChIInChI=1S/C19H15Cl3F2N4O3/c1-28-15(30)18(27-17(28)25,10-5-7-13(8-6-10)31-16(23)24)11-3-2-4-12(9-11)26-14(29)19(20,21)22/h2-9,16H,1H3,(H2,25,27)(H,26,29)
InChIKeyMFHIBFRXLBLTSY-UHFFFAOYSA-N
MW491.71 g/mol
LogP3.63
Rot. Bonds5

About N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide

N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide (PubChem CID 25124636) has the molecular formula C19H15Cl3F2N4O3 and a molecular weight of 491.71 g/mol. Its IUPAC name is N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide
PubChem CID25124636
Molecular FormulaC19H15Cl3F2N4O3
Molecular Weight491.71 g/mol
Exact Mass490.02
IUPAC NameN-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide
SMILESCN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(NC(=O)C(Cl)(Cl)Cl)c2)N=C1N
InChIInChI=1S/C19H15Cl3F2N4O3/c1-28-15(30)18(27-17(28)25,10-5-7-13(8-6-10)31-16(23)24)11-3-2-4-12(9-11)26-14(29)19(20,21)22/h2-9,16H,1H3,(H2,25,27)(H,26,29)
InChIKeyMFHIBFRXLBLTSY-UHFFFAOYSA-N
XLogP3.63
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.71
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide
CID 68792712
2-amino-5-[4-(difluoromethoxy)phenyl]-5-(3-hydroxyphenyl)-3-methylimidazol-4-one;1-[4-(difluoromethoxy)phenyl]-2-(3-hydroxyphenyl)ethane-1,2-dione
CID 159895842
2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride
CID 158457531
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-hydroxybutyl)phenyl]-3-methylimidazol-4-one
CID 67565324
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-fluoroprop-1-ynyl)phenyl]-3-methylimidazol-4-one
CID 52944411
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-[(E)-4-fluorobut-1-enyl]phenyl]-3-methylimidazol-4-one
CID 52940974
2-amino-5-[3-[(E)-2-cyclopropyl-1-fluoroethenyl]phenyl]-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one
CID 25196989
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3-methylbut-3-enoxy)phenyl]imidazol-4-one
CID 25127296
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(4-ethoxybutan-2-yl)phenyl]-3-methylimidazol-4-one
CID 25123320
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 52944484
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbut-3-enoxy)phenyl]imidazol-4-one
CID 25127295
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(6-hydroxyhex-1-ynyl)phenyl]-3-methylimidazol-4-one
CID 52944682

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide?
The IUPAC name of N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide (CID 25124636) is N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide.
What is the SMILES notation for N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide?
The canonical SMILES for N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide is CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(NC(=O)C(Cl)(Cl)Cl)c2)N=C1N.
What is the InChIKey of N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide?
The InChIKey is MFHIBFRXLBLTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3F2N4O3/c1-28-15(30)18(27-17(28)25,10-5-7-13(8-6-10)31-16(23)24)11-3-2-4-12(9-11)26-14(29)19(20,21)22/h2-9,16H,1H3,(H2,25,27)(H,26,29).
What are the key properties of N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide?
N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide has a molecular weight of 491.71 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide is sourced from PubChem (CID 25124636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).