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

C23H13Cl2F6N5O2 — CID 56966201

IUPAC1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H13Cl2F6N5O2/c24-14-3-1-11(22(26,27)28)7-17(14)35-21(37)34-16-4-2-12(8-15(16)25)38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31/h1-10H,(H,33,36)(H2,34,35,37)
InChIKeyNOMJOBPDCYIVEL-UHFFFAOYSA-N
MW576.28 g/mol
LogP8.25
Rot. Bonds5

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

1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea (PubChem CID 56966201) has the molecular formula C23H13Cl2F6N5O2 and a molecular weight of 576.28 g/mol. Its IUPAC name is 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
PubChem CID56966201
Molecular FormulaC23H13Cl2F6N5O2
Molecular Weight576.28 g/mol
Exact Mass575.04
IUPAC Name1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H13Cl2F6N5O2/c24-14-3-1-11(22(26,27)28)7-17(14)35-21(37)34-16-4-2-12(8-15(16)25)38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31/h1-10H,(H,33,36)(H2,34,35,37)
InChIKeyNOMJOBPDCYIVEL-UHFFFAOYSA-N
XLogP8.25
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.28
LogP ≤ 58.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-trifluoromethyl-phenyl)-[5-(pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755722
2-(4-Chlorophenyl)-4-(2-phenoxyphenyl)-5-(4-pyridinyl)-1H-imidazole
CID 10093802
4-[5-(2-Butoxy-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10363819
1-(2-chloro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949611
1-[2-Chloro-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 44186359
N-(2-chloro-4-{[5-(2-methoxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 52941234
N-(2-chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 52943668
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
CID 52949960
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[4-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]-3-fluorophenyl]urea
CID 127045662
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[4-[2-(diethylamino)ethyl]-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]-3-fluorophenyl]urea
CID 127047534
1-[2-fluoro-4-(1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 46900113
1-[4-[[2-(dimethylamino)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 46900265

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-[2-chloro-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea (CID 56966201) is 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea?
The InChIKey is NOMJOBPDCYIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2F6N5O2/c24-14-3-1-11(22(26,27)28)7-17(14)35-21(37)34-16-4-2-12(8-15(16)25)38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31/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-[2-chloro-5-(trifluoromethyl)phenyl]urea?
1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 576.28 g/mol, XLogP of 8.25, 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-[2-chloro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56966201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).