4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one

C26H25F3N4O2S — CID 91434546

IUPAC4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc2cc(N3CCCCC3)ccc12
InChIInChI=1S/C26H25F3N4O2S/c1-17-24(34)33(19-5-8-21(9-6-19)36-26(27,28)29)25(35)32(17)16-18-11-12-30-23-15-20(7-10-22(18)23)31-13-3-2-4-14-31/h5-12,15,34H,2-4,13-14,16H2,1H3
InChIKeyBXWTYCNUHXWHSA-UHFFFAOYSA-N
MW514.57 g/mol
LogP5.85
Rot. Bonds5

About 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one

4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (PubChem CID 91434546) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
PubChem CID91434546
Molecular FormulaC26H25F3N4O2S
Molecular Weight514.57 g/mol
Exact Mass514.17
IUPAC Name4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc2cc(N3CCCCC3)ccc12
InChIInChI=1S/C26H25F3N4O2S/c1-17-24(34)33(19-5-8-21(9-6-19)36-26(27,28)29)25(35)32(17)16-18-11-12-30-23-15-20(7-10-22(18)23)31-13-3-2-4-14-31/h5-12,15,34H,2-4,13-14,16H2,1H3
InChIKeyBXWTYCNUHXWHSA-UHFFFAOYSA-N
XLogP5.85
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.57
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one with MolForge

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Related Compounds

4-hydroxy-5-methyl-1-[(6-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91129517
4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91200862
4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylic acid
CID 90988500
1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91601206
4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91328631
4-hydroxy-1-[(7-methoxyquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91337406
4-hydroxy-5-methyl-1-[(2-phenoxy-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90836578
2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine
CID 91185920
4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
CID 91426433
4-hydroxy-5-methyl-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91035699
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea
CID 90924951
4-hydroxy-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90889434

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (CID 91434546) is 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc2cc(N3CCCCC3)ccc12.
What is the InChIKey of 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The InChIKey is BXWTYCNUHXWHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-17-24(34)33(19-5-8-21(9-6-19)36-26(27,28)29)25(35)32(17)16-18-11-12-30-23-15-20(7-10-22(18)23)31-13-3-2-4-14-31/h5-12,15,34H,2-4,13-14,16H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one has a molecular weight of 514.57 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is sourced from PubChem (CID 91434546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).