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

C23H15F6N5O2 — CID 56966056

IUPAC1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15F6N5O2/c24-22(25,26)13-2-1-3-15(10-13)33-21(35)32-14-4-6-16(7-5-14)36-17-8-9-30-18(11-17)20-31-12-19(34-20)23(27,28)29/h1-12H,(H,31,34)(H2,32,33,35)
InChIKeyHDTYACKSRNHREY-UHFFFAOYSA-N
MW507.39 g/mol
LogP6.95
Rot. Bonds5

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

1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 56966056) has the molecular formula C23H15F6N5O2 and a molecular weight of 507.39 g/mol. Its IUPAC name is 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID56966056
Molecular FormulaC23H15F6N5O2
Molecular Weight507.39 g/mol
Exact Mass507.11
IUPAC Name1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15F6N5O2/c24-22(25,26)13-2-1-3-15(10-13)33-21(35)32-14-4-6-16(7-5-14)36-17-8-9-30-18(11-17)20-31-12-19(34-20)23(27,28)29/h1-12H,(H,31,34)(H2,32,33,35)
InChIKeyHDTYACKSRNHREY-UHFFFAOYSA-N
XLogP6.95
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.39
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 56966056) is 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is HDTYACKSRNHREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N5O2/c24-22(25,26)13-2-1-3-15(10-13)33-21(35)32-14-4-6-16(7-5-14)36-17-8-9-30-18(11-17)20-31-12-19(34-20)23(27,28)29/h1-12H,(H,31,34)(H2,32,33,35).
What are the key properties of 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 507.39 g/mol, XLogP of 6.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56966056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).