5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide

C32H25F5N4O3 — CID 135163324

IUPAC5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(C(F)(F)F)c(C(=O)NCc2cccc(OC(F)F)c2)c1
InChIInChI=1S/C32H25F5N4O3/c33-29(34)44-24-13-7-8-20(16-24)18-39-27(42)25-17-21(14-15-26(25)32(35,36)37)19-41-28(43)31(40-30(41)38,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-17,29H,18-19H2,(H2,38,40)(H,39,42)
InChIKeyDNJUIBCJXJRPTH-UHFFFAOYSA-N
MW608.57 g/mol
LogP5.84
Rot. Bonds9

About 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide

5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 135163324) has the molecular formula C32H25F5N4O3 and a molecular weight of 608.57 g/mol. Its IUPAC name is 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID135163324
Molecular FormulaC32H25F5N4O3
Molecular Weight608.57 g/mol
Exact Mass608.18
IUPAC Name5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(C(F)(F)F)c(C(=O)NCc2cccc(OC(F)F)c2)c1
InChIInChI=1S/C32H25F5N4O3/c33-29(34)44-24-13-7-8-20(16-24)18-39-27(42)25-17-21(14-15-26(25)32(35,36)37)19-41-28(43)31(40-30(41)38,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-17,29H,18-19H2,(H2,38,40)(H,39,42)
InChIKeyDNJUIBCJXJRPTH-UHFFFAOYSA-N
XLogP5.84
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.57
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 135156034
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-butan-2-ylbenzamide
CID 59387294
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 59388257
2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89248264
methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
CID 59388667
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
CID 59386736
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
CID 155059056
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide
CID 68792712
5-[[(4R)-2-amino-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-(3-methylbutyl)-5-oxoimidazol-1-yl]methyl]-N-benzyl-2-tert-butylbenzamide
CID 166880417
N-[[3-(difluoromethoxy)phenyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 49337556

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide (CID 135163324) is 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(C(F)(F)F)c(C(=O)NCc2cccc(OC(F)F)c2)c1.
What is the InChIKey of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is DNJUIBCJXJRPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F5N4O3/c33-29(34)44-24-13-7-8-20(16-24)18-39-27(42)25-17-21(14-15-26(25)32(35,36)37)19-41-28(43)31(40-30(41)38,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-17,29H,18-19H2,(H2,38,40)(H,39,42).
What are the key properties of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide?
5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 608.57 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 135163324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).