2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide

C27H21F6N3O5 — CID 123311618

IUPAC2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(Cc1[nH]c(=O)[nH]c1O)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C27H21F6N3O5/c28-26(29,30)40-19-10-4-8-17(12-19)25(15-16-6-2-1-3-7-16,18-9-5-11-20(13-18)41-27(31,32)33)36-22(37)14-21-23(38)35-24(39)34-21/h1-13,38H,14-15H2,(H,36,37)(H2,34,35,39)
InChIKeyRRUCBDSBBVQPDD-UHFFFAOYSA-N
MW581.47 g/mol
LogP5.05
Rot. Bonds9

About 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 123311618) has the molecular formula C27H21F6N3O5 and a molecular weight of 581.47 g/mol. Its IUPAC name is 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID123311618
Molecular FormulaC27H21F6N3O5
Molecular Weight581.47 g/mol
Exact Mass581.14
IUPAC Name2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(Cc1[nH]c(=O)[nH]c1O)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C27H21F6N3O5/c28-26(29,30)40-19-10-4-8-17(12-19)25(15-16-6-2-1-3-7-16,18-9-5-11-20(13-18)41-27(31,32)33)36-22(37)14-21-23(38)35-24(39)34-21/h1-13,38H,14-15H2,(H,36,37)(H2,34,35,39)
InChIKeyRRUCBDSBBVQPDD-UHFFFAOYSA-N
XLogP5.05
TPSA116.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.47
LogP ≤ 55.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 140515186
3-chloro-2-fluoro-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 59458504
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 24956819
2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192724
methyl 2-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 58898103
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 59458645
methyl (2S,4R)-4-methyl-1-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 59541248
methyl (2S)-4-methyl-2-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]pentanoate
CID 59458834
3-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butanamide
CID 59192657
methyl (2S,4R)-4-methoxy-1-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 89304523
3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192939

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 123311618) is 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide is O=C(Cc1[nH]c(=O)[nH]c1O)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is RRUCBDSBBVQPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F6N3O5/c28-26(29,30)40-19-10-4-8-17(12-19)25(15-16-6-2-1-3-7-16,18-9-5-11-20(13-18)41-27(31,32)33)36-22(37)14-21-23(38)35-24(39)34-21/h1-13,38H,14-15H2,(H,36,37)(H2,34,35,39).
What are the key properties of 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 581.47 g/mol, XLogP of 5.05, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 123311618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).