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

C23H13ClF7N5O2 — CID 56966200

IUPAC1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1Cl
InChIInChI=1S/C23H13ClF7N5O2/c24-15-8-12(38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31)2-4-17(15)35-21(37)34-11-1-3-16(25)14(7-11)22(26,27)28/h1-10H,(H,33,36)(H2,34,35,37)
InChIKeyHRBDGPAYFGMOQZ-UHFFFAOYSA-N
MW559.83 g/mol
LogP7.74
Rot. Bonds5

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

1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea (PubChem CID 56966200) has the molecular formula C23H13ClF7N5O2 and a molecular weight of 559.83 g/mol. Its IUPAC name is 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
PubChem CID56966200
Molecular FormulaC23H13ClF7N5O2
Molecular Weight559.83 g/mol
Exact Mass559.06
IUPAC Name1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1Cl
InChIInChI=1S/C23H13ClF7N5O2/c24-15-8-12(38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31)2-4-17(15)35-21(37)34-11-1-3-16(25)14(7-11)22(26,27)28/h1-10H,(H,33,36)(H2,34,35,37)
InChIKeyHRBDGPAYFGMOQZ-UHFFFAOYSA-N
XLogP7.74
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.83
LogP ≤ 57.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-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-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea (CID 56966200) is 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is HRBDGPAYFGMOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF7N5O2/c24-15-8-12(38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31)2-4-17(15)35-21(37)34-11-1-3-16(25)14(7-11)22(26,27)28/h1-10H,(H,33,36)(H2,34,35,37).
What are the key properties of 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 559.83 g/mol, XLogP of 7.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56966200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).