1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea

C22H15F4N5O2 — CID 56966125

IUPAC1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1
InChIInChI=1S/C22H15F4N5O2/c23-13-1-3-14(4-2-13)29-21(32)30-15-5-7-16(8-6-15)33-17-9-10-27-18(11-17)20-28-12-19(31-20)22(24,25)26/h1-12H,(H,28,31)(H2,29,30,32)
InChIKeyRKTDHOKKFZRZIA-UHFFFAOYSA-N
MW457.39 g/mol
LogP6.07
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea

1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea (PubChem CID 56966125) has the molecular formula C22H15F4N5O2 and a molecular weight of 457.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
PubChem CID56966125
Molecular FormulaC22H15F4N5O2
Molecular Weight457.39 g/mol
Exact Mass457.12
IUPAC Name1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1
InChIInChI=1S/C22H15F4N5O2/c23-13-1-3-14(4-2-13)29-21(32)30-15-5-7-16(8-6-15)33-17-9-10-27-18(11-17)20-28-12-19(31-20)22(24,25)26/h1-12H,(H,28,31)(H2,29,30,32)
InChIKeyRKTDHOKKFZRZIA-UHFFFAOYSA-N
XLogP6.07
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.39
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Benzimidazole-urea, 31
CID 10278843
Imidazopyridine-urea, 44
CID 10278844
Type II inhibitor, 5
CID 16061468
N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562
5H-Pyrrolo(3,2-d)pyrimidine-2,4-diamine, N,N'-bis(4-methoxyphenyl)-
CID 5748926
3-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-[(4-fluorophenyl)methyl]urea (2)
CID 121225767
N-(3-Fluoro-4-(2-(pyrrolidine-1-carboxamido)pyridin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 24771822
N-[3-fluoro-4-(1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 145984368
4-(9H-Purin-6-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 9844744
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064891
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-(5-methyl-1H-imidazol-2-yl)pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064893

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea (CID 56966125) is 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is RKTDHOKKFZRZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O2/c23-13-1-3-14(4-2-13)29-21(32)30-15-5-7-16(8-6-15)33-17-9-10-27-18(11-17)20-28-12-19(31-20)22(24,25)26/h1-12H,(H,28,31)(H2,29,30,32).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 457.39 g/mol, XLogP of 6.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 56966125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).