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

C22H23F3N4O3 — CID 91328631

IUPAC4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccncc1N1CCCCC1
InChIInChI=1S/C22H23F3N4O3/c1-15-20(30)29(17-5-7-18(8-6-17)32-22(23,24)25)21(31)28(15)14-16-9-10-26-13-19(16)27-11-3-2-4-12-27/h5-10,13,30H,2-4,11-12,14H2,1H3
InChIKeyADZDLHCWUNFHKM-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.99
Rot. Bonds5

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

4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (PubChem CID 91328631) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
PubChem CID91328631
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC Name4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccncc1N1CCCCC1
InChIInChI=1S/C22H23F3N4O3/c1-15-20(30)29(17-5-7-18(8-6-17)32-22(23,24)25)21(31)28(15)14-16-9-10-26-13-19(16)27-11-3-2-4-12-27/h5-10,13,30H,2-4,11-12,14H2,1H3
InChIKeyADZDLHCWUNFHKM-UHFFFAOYSA-N
XLogP3.99
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
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1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
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CID 24744859
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CID 24967634
(2R)-N-[(1R)-1-(3-fluoro-5-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 155438918
(2R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 155438923
(2R)-4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (CID 91328631) is 4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccncc1N1CCCCC1.
What is the InChIKey of 4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The InChIKey is ADZDLHCWUNFHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-15-20(30)29(17-5-7-18(8-6-17)32-22(23,24)25)21(31)28(15)14-16-9-10-26-13-19(16)27-11-3-2-4-12-27/h5-10,13,30H,2-4,11-12,14H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one has a molecular weight of 448.45 g/mol, XLogP of 3.99, 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-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 91328631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).