(4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one

C23H17F3N2O2 — CID 102153375

IUPAC(4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one
SMILESCOc1ccc([C@@]2(c3ccc(C(F)(F)F)cc3)N=C(c3ccccc3)NC2=O)cc1
InChIInChI=1S/C23H17F3N2O2/c1-30-19-13-11-17(12-14-19)22(16-7-9-18(10-8-16)23(24,25)26)21(29)27-20(28-22)15-5-3-2-4-6-15/h2-14H,1H3,(H,27,28,29)/t22-/m1/s1
InChIKeySVNPMMKIKCTONV-JOCHJYFZSA-N
MW410.40 g/mol
LogP4.53
Rot. Bonds4

About (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one

(4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one (PubChem CID 102153375) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one
PubChem CID102153375
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name(4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one
SMILESCOc1ccc([C@@]2(c3ccc(C(F)(F)F)cc3)N=C(c3ccccc3)NC2=O)cc1
InChIInChI=1S/C23H17F3N2O2/c1-30-19-13-11-17(12-14-19)22(16-7-9-18(10-8-16)23(24,25)26)21(29)27-20(28-22)15-5-3-2-4-6-15/h2-14H,1H3,(H,27,28,29)/t22-/m1/s1
InChIKeySVNPMMKIKCTONV-JOCHJYFZSA-N
XLogP4.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 172880278
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 8003972
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine
CID 162539208
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 71608846
2-amino-6-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]benzoic acid
CID 162597608
ethane;bis(trifluoromethylbenzene)
CID 142912000

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one?
The IUPAC name of (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one (CID 102153375) is (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one.
What is the SMILES notation for (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one?
The canonical SMILES for (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one is COc1ccc([C@@]2(c3ccc(C(F)(F)F)cc3)N=C(c3ccccc3)NC2=O)cc1.
What is the InChIKey of (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one?
The InChIKey is SVNPMMKIKCTONV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c1-30-19-13-11-17(12-14-19)22(16-7-9-18(10-8-16)23(24,25)26)21(29)27-20(28-22)15-5-3-2-4-6-15/h2-14H,1H3,(H,27,28,29)/t22-/m1/s1.
What are the key properties of (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one?
(4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one has a molecular weight of 410.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-one is sourced from PubChem (CID 102153375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).