N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide

C21H22F2N4O2 — CID 70132880

IUPACN-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide
SMILESCC1(C)N=C(N)N(Cc2ccc(CNC(=O)Cc3cc(F)cc(F)c3)cc2)C1=O
InChIInChI=1S/C21H22F2N4O2/c1-21(2)19(29)27(20(24)26-21)12-14-5-3-13(4-6-14)11-25-18(28)9-15-7-16(22)10-17(23)8-15/h3-8,10H,9,11-12H2,1-2H3,(H2,24,26)(H,25,28)
InChIKeyTXXARBOPHQBDDI-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.26
Rot. Bonds6

About N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide

N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 70132880) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide
PubChem CID70132880
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide
SMILESCC1(C)N=C(N)N(Cc2ccc(CNC(=O)Cc3cc(F)cc(F)c3)cc2)C1=O
InChIInChI=1S/C21H22F2N4O2/c1-21(2)19(29)27(20(24)26-21)12-14-5-3-13(4-6-14)11-25-18(28)9-15-7-16(22)10-17(23)8-15/h3-8,10H,9,11-12H2,1-2H3,(H2,24,26)(H,25,28)
InChIKeyTXXARBOPHQBDDI-UHFFFAOYSA-N
XLogP2.26
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide (CID 70132880) is N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide is CC1(C)N=C(N)N(Cc2ccc(CNC(=O)Cc3cc(F)cc(F)c3)cc2)C1=O.
What is the InChIKey of N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is TXXARBOPHQBDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-21(2)19(29)27(20(24)26-21)12-14-5-3-13(4-6-14)11-25-18(28)9-15-7-16(22)10-17(23)8-15/h3-8,10H,9,11-12H2,1-2H3,(H2,24,26)(H,25,28).
What are the key properties of N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide?
N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 400.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 70132880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).