4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one

C26H25F3N4O3 — CID 91491267

IUPAC4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1C(c1ccnc2ccccc12)C1CCCNC1
InChIInChI=1S/C26H25F3N4O3/c1-16-24(34)33(18-8-10-19(11-9-18)36-26(27,28)29)25(35)32(16)23(17-5-4-13-30-15-17)21-12-14-31-22-7-3-2-6-20(21)22/h2-3,6-12,14,17,23,30,34H,4-5,13,15H2,1H3
InChIKeyOQTALFAJUVDKJM-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.69
Rot. Bonds5

About 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one

4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (PubChem CID 91491267) has the molecular formula C26H25F3N4O3 and a molecular weight of 498.51 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
PubChem CID91491267
Molecular FormulaC26H25F3N4O3
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC Name4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1C(c1ccnc2ccccc12)C1CCCNC1
InChIInChI=1S/C26H25F3N4O3/c1-16-24(34)33(18-8-10-19(11-9-18)36-26(27,28)29)25(35)32(16)23(17-5-4-13-30-15-17)21-12-14-31-22-7-3-2-6-20(21)22/h2-3,6-12,14,17,23,30,34H,4-5,13,15H2,1H3
InChIKeyOQTALFAJUVDKJM-UHFFFAOYSA-N
XLogP4.69
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 25265637
6-Methoxy-4-pyridin-2-ylethynyl-4-trifluoromethyl-3,4-dihydro-1H-quinazolin-2-one
CID 478294
4-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 10530035
8-(quinoline-5-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376135
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinolin-6-yloxyphenyl)urea
CID 134294499
4-(1H-Indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 9824884
4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 10096048
4-(5-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 10412189
4-(4-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 10412190
1-Isoquinolin-5-yl-3-(4-trifluoromethoxy-benzyl)-urea
CID 10451213
1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-3-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-urea
CID 10696986
4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 10814424

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (CID 91491267) is 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1C(c1ccnc2ccccc12)C1CCCNC1.
What is the InChIKey of 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The InChIKey is OQTALFAJUVDKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3/c1-16-24(34)33(18-8-10-19(11-9-18)36-26(27,28)29)25(35)32(16)23(17-5-4-13-30-15-17)21-12-14-31-22-7-3-2-6-20(21)22/h2-3,6-12,14,17,23,30,34H,4-5,13,15H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one has a molecular weight of 498.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 91491267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).