(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one

C30H26F2N2O3 — CID 158246258

IUPAC(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one
SMILESCOc1ccc(-n2ccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C30H26F2N2O3/c1-37-28-8-5-25(6-9-28)34-11-10-33-30(34)22(12-19-13-23(31)17-24(32)14-19)16-27(36)15-21-3-2-20-4-7-26(35)18-29(20)21/h3-11,13-14,17-18,22,35H,2,12,15-16H2,1H3/t22-/m1/s1
InChIKeyVIIYKETVNBKIRI-JOCHJYFZSA-N
MW500.55 g/mol
LogP6.18
Rot. Bonds9

About (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one

(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one (PubChem CID 158246258) has the molecular formula C30H26F2N2O3 and a molecular weight of 500.55 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one
PubChem CID158246258
Molecular FormulaC30H26F2N2O3
Molecular Weight500.55 g/mol
Exact Mass500.19
IUPAC Name(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one
SMILESCOc1ccc(-n2ccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C30H26F2N2O3/c1-37-28-8-5-25(6-9-28)34-11-10-33-30(34)22(12-19-13-23(31)17-24(32)14-19)16-27(36)15-21-3-2-20-4-7-26(35)18-29(20)21/h3-11,13-14,17-18,22,35H,2,12,15-16H2,1H3/t22-/m1/s1
InChIKeyVIIYKETVNBKIRI-JOCHJYFZSA-N
XLogP6.18
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one
CID 157220268
N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 90281346
(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one
CID 158575213
5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 158419722
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one
CID 152945139
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one
CID 148914381
2-chloro-4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide
CID 147184600
(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethanamine
CID 118950869
(3S)-3-amino-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 95220816
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551
1-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950753
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40518471

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one?
The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one (CID 158246258) is (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one.
What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one?
The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one is COc1ccc(-n2ccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one?
The InChIKey is VIIYKETVNBKIRI-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H26F2N2O3/c1-37-28-8-5-25(6-9-28)34-11-10-33-30(34)22(12-19-13-23(31)17-24(32)14-19)16-27(36)15-21-3-2-20-4-7-26(35)18-29(20)21/h3-11,13-14,17-18,22,35H,2,12,15-16H2,1H3/t22-/m1/s1.
What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one?
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one has a molecular weight of 500.55 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one is sourced from PubChem (CID 158246258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).