1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea

C24H20F3N5O4 — CID 90922879

IUPAC1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1cnccc1Cn1cc(O)n(-c2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C24H20F3N5O4/c25-24(26,27)36-19-8-6-18(7-9-19)32-21(33)15-31(23(32)35)14-17-10-11-28-13-20(17)30-22(34)29-12-16-4-2-1-3-5-16/h1-11,13,15,33H,12,14H2,(H2,29,30,34)
InChIKeyNBYINNKFMLWHRW-UHFFFAOYSA-N
MW499.45 g/mol
LogP4.01
Rot. Bonds7

About 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea

1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea (PubChem CID 90922879) has the molecular formula C24H20F3N5O4 and a molecular weight of 499.45 g/mol. Its IUPAC name is 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
PubChem CID90922879
Molecular FormulaC24H20F3N5O4
Molecular Weight499.45 g/mol
Exact Mass499.15
IUPAC Name1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1cnccc1Cn1cc(O)n(-c2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C24H20F3N5O4/c25-24(26,27)36-19-8-6-18(7-9-19)32-21(33)15-31(23(32)35)14-17-10-11-28-13-20(17)30-22(34)29-12-16-4-2-1-3-5-16/h1-11,13,15,33H,12,14H2,(H2,29,30,34)
InChIKeyNBYINNKFMLWHRW-UHFFFAOYSA-N
XLogP4.01
TPSA110.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea with MolForge

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Related Compounds

N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide
CID 90809807
1-[[3-(4-chlorophenyl)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91243385
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90884770
[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate
CID 91393119
1-[[3-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91164387
1-benzyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]urea
CID 68764737
ethyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91613069
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91252167
tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate
CID 91041066
ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 90765475
1-(2-ethylphenyl)-3-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]urea
CID 118675229
4-hydroxy-1-[[3-(4-methoxyphenyl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91241210

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea (CID 90922879) is 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea is O=C(NCc1ccccc1)Nc1cnccc1Cn1cc(O)n(-c2ccc(OC(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea?
The InChIKey is NBYINNKFMLWHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O4/c25-24(26,27)36-19-8-6-18(7-9-19)32-21(33)15-31(23(32)35)14-17-10-11-28-13-20(17)30-22(34)29-12-16-4-2-1-3-5-16/h1-11,13,15,33H,12,14H2,(H2,29,30,34).
What are the key properties of 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea?
1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea has a molecular weight of 499.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea is sourced from PubChem (CID 90922879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).