1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one

C21H15F4N3O3 — CID 91601206

IUPAC1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccnc2cc(F)ccc12
InChIInChI=1S/C21H15F4N3O3/c1-12-19(29)28(15-3-5-16(6-4-15)31-21(23,24)25)20(30)27(12)11-13-8-9-26-18-10-14(22)2-7-17(13)18/h2-10,29H,11H2,1H3
InChIKeyOBTDOTXAJJXRLW-UHFFFAOYSA-N
MW433.36 g/mol
LogP4.29
Rot. Bonds4

About 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one

1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (PubChem CID 91601206) has the molecular formula C21H15F4N3O3 and a molecular weight of 433.36 g/mol. Its IUPAC name is 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
PubChem CID91601206
Molecular FormulaC21H15F4N3O3
Molecular Weight433.36 g/mol
Exact Mass433.10
IUPAC Name1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccnc2cc(F)ccc12
InChIInChI=1S/C21H15F4N3O3/c1-12-19(29)28(15-3-5-16(6-4-15)31-21(23,24)25)20(30)27(12)11-13-8-9-26-18-10-14(22)2-7-17(13)18/h2-10,29H,11H2,1H3
InChIKeyOBTDOTXAJJXRLW-UHFFFAOYSA-N
XLogP4.29
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[2-(aminomethyl)-4-pyridinyl]methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91536112
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
CID 90879070
4-hydroxy-5-methyl-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91328631
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 90901020
4-hydroxy-5-methyl-1-[(7-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91434546
ethyl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90935599
propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91303063
4-hydroxy-5-methyl-1-[(3-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91300536
4-hydroxy-5-methyl-1-[(6-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91129517
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide
CID 91607160
4-hydroxy-1-[(7-methoxyquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91337406
4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91491267

Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The IUPAC name of 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (CID 91601206) is 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The canonical SMILES for 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccnc2cc(F)ccc12.
What is the InChIKey of 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The InChIKey is OBTDOTXAJJXRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O3/c1-12-19(29)28(15-3-5-16(6-4-15)31-21(23,24)25)20(30)27(12)11-13-8-9-26-18-10-14(22)2-7-17(13)18/h2-10,29H,11H2,1H3.
What are the key properties of 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one has a molecular weight of 433.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 91601206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).