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

C43H30Cl2F6N10O5 — CID 87984444

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(-c3nnco3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C3=NCCN3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H17ClF3N5O2.C21H13ClF3N5O3/c23-18-6-3-14(11-17(18)22(24,25)26)31-21(32)30-13-1-4-15(5-2-13)33-16-7-8-27-19(12-16)20-28-9-10-29-20;22-17-6-3-13(9-16(17)21(23,24)25)29-20(31)28-12-1-4-14(5-2-12)33-15-7-8-26-18(10-15)19-30-27-11-32-19/h1-8,11-12H,9-10H2,(H,28,29)(H2,30,31,32);1-11H,(H2,28,29,31)
InChIKeyFNOOGFNJOOSBHL-UHFFFAOYSA-N
MW951.67 g/mol
LogP11.78
Rot. Bonds10

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea (PubChem CID 87984444) has the molecular formula C43H30Cl2F6N10O5 and a molecular weight of 951.67 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea
PubChem CID87984444
Molecular FormulaC43H30Cl2F6N10O5
Molecular Weight951.67 g/mol
Exact Mass950.17
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(-c3nnco3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C3=NCCN3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H17ClF3N5O2.C21H13ClF3N5O3/c23-18-6-3-14(11-17(18)22(24,25)26)31-21(32)30-13-1-4-15(5-2-13)33-16-7-8-27-19(12-16)20-28-9-10-29-20;22-17-6-3-13(9-16(17)21(23,24)25)29-20(31)28-12-1-4-14(5-2-12)33-15-7-8-26-18(10-15)19-30-27-11-32-19/h1-8,11-12H,9-10H2,(H,28,29)(H2,30,31,32);1-11H,(H2,28,29,31)
InChIKeyFNOOGFNJOOSBHL-UHFFFAOYSA-N
XLogP11.78
TPSA189.81 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.67
LogP ≤ 511.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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

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Related Compounds

4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-(2-morpholinoethyl)picolinamide
CID 10128955
4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-(4-morpholinophenyl)picolinamide
CID 44565730
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(1,3,4-oxadiazol-2-yl)pyridin-4-yl]oxyphenyl]urea
CID 10322725
5-{4-[3-(3-{[4-Chloro-3-(trifluoromethyl)phenyl]amino}-3-oxopropyl)phenoxy]pyridin-2-yl}-1,3,4-oxadiazole-2-carboxamide
CID 11656677
1-[4-Chloro-2-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-3-[3-[2-(1,3,4-oxadiazol-2-yl)pyridin-4-yl]oxyphenyl]urea
CID 58917068
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 58917089
1-[4-Chloro-2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-[4-[2-(1,3,4-oxadiazol-2-yl)pyridin-4-yl]oxyphenyl]urea
CID 58917140
1-[3-[(4-Methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-[2-(1,3,4-oxadiazol-2-yl)pyridin-4-yl]oxyphenyl]urea
CID 58917144
1-[4-Chloro-2-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-3-[4-[2-(1,3,4-oxadiazol-2-yl)pyridin-4-yl]oxyphenyl]urea
CID 58917181
3-[4-Chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-[4-[2-(1,3,4-oxadiazol-2-yl)pyridin-4-yl]oxyphenyl]urea
CID 58917184
3-[4-Chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-[3-[2-(1,3,4-oxadiazol-2-yl)pyridin-4-yl]oxyphenyl]urea
CID 58917201
1-[3-(Morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(1,3,4-oxadiazol-2-yl)pyridin-4-yl]oxyphenyl]urea
CID 58917235

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea (CID 87984444) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea is O=C(Nc1ccc(Oc2ccnc(-c3nnco3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C3=NCCN3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is FNOOGFNJOOSBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O2.C21H13ClF3N5O3/c23-18-6-3-14(11-17(18)22(24,25)26)31-21(32)30-13-1-4-15(5-2-13)33-16-7-8-27-19(12-16)20-28-9-10-29-20;22-17-6-3-13(9-16(17)21(23,24)25)29-20(31)28-12-1-4-14(5-2-12)33-15-7-8-26-18(10-15)19-30-27-11-32-19/h1-8,11-12H,9-10H2,(H,28,29)(H2,30,31,32);1-11H,(H2,28,29,31).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 951.67 g/mol, XLogP of 11.78, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 87984444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).