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

C22H14Cl2F3N5O2 — CID 56966057

IUPAC1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl2F3N5O2/c23-16-6-3-13(9-17(16)24)31-21(33)30-12-1-4-14(5-2-12)34-15-7-8-28-18(10-15)20-29-11-19(32-20)22(25,26)27/h1-11H,(H,29,32)(H2,30,31,33)
InChIKeyOAOLQEIPWWTDLL-UHFFFAOYSA-N
MW508.29 g/mol
LogP7.23
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea (PubChem CID 56966057) has the molecular formula C22H14Cl2F3N5O2 and a molecular weight of 508.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
PubChem CID56966057
Molecular FormulaC22H14Cl2F3N5O2
Molecular Weight508.29 g/mol
Exact Mass507.05
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl2F3N5O2/c23-16-6-3-13(9-17(16)24)31-21(33)30-12-1-4-14(5-2-12)34-15-7-8-28-18(10-15)20-29-11-19(32-20)22(25,26)27/h1-11H,(H,29,32)(H2,30,31,33)
InChIKeyOAOLQEIPWWTDLL-UHFFFAOYSA-N
XLogP7.23
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.29
LogP ≤ 57.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(3-fluorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851428
1-(3-Chloro-4-fluorophenyl)-3-[4-[[2-[4-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]-3-fluorophenyl]urea
CID 127047395
1-(3-Chloro-4-fluorophenyl)-3-[4-[[2-[4-[2-(diethylamino)ethyl]-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]-3-fluorophenyl]urea
CID 127047433
N-[3-chloro-4-(2-fluorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851427
N-[3-chloro-4-(2-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851429
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]urea
CID 56966054
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
CID 56966055
1-[4-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 56966056
1-(3-chloro-4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
CID 56966123
1-(4-fluorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
CID 56966125
1-(2-chloro-6-methylphenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
CID 56966126
1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 56966200

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea (CID 56966057) is 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea is O=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is OAOLQEIPWWTDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F3N5O2/c23-16-6-3-13(9-17(16)24)31-21(33)30-12-1-4-14(5-2-12)34-15-7-8-28-18(10-15)20-29-11-19(32-20)22(25,26)27/h1-11H,(H,29,32)(H2,30,31,33).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 508.29 g/mol, XLogP of 7.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 56966057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).