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

C43H28Cl2F6N10O5 — CID 87984443

IUPAC1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(C3=NCCN3)c2)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)N(C(=O)Nc1ccc(Oc2ccnc(-c3nnco3)c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C43H28Cl2F6N10O5/c44-34-11-5-26(19-32(34)42(46,47)48)60(40(62)57-24-1-7-28(8-2-24)65-30-13-15-52-36(21-30)38-54-17-18-55-38)61(27-6-12-35(45)33(20-27)43(49,50)51)41(63)58-25-3-9-29(10-4-25)66-31-14-16-53-37(22-31)39-59-56-23-64-39/h1-16,19-23H,17-18H2,(H,54,55)(H,57,62)(H,58,63)
InChIKeySIOCMJYDOQPACQ-UHFFFAOYSA-N
MW949.66 g/mol
LogP11.50
Rot. Bonds10

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

1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea (PubChem CID 87984443) has the molecular formula C43H28Cl2F6N10O5 and a molecular weight of 949.66 g/mol. Its IUPAC name is 1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-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-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea
PubChem CID87984443
Molecular FormulaC43H28Cl2F6N10O5
Molecular Weight949.66 g/mol
Exact Mass948.15
IUPAC Name1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc(C3=NCCN3)c2)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)N(C(=O)Nc1ccc(Oc2ccnc(-c3nnco3)c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C43H28Cl2F6N10O5/c44-34-11-5-26(19-32(34)42(46,47)48)60(40(62)57-24-1-7-28(8-2-24)65-30-13-15-52-36(21-30)38-54-17-18-55-38)61(27-6-12-35(45)33(20-27)43(49,50)51)41(63)58-25-3-9-29(10-4-25)66-31-14-16-53-37(22-31)39-59-56-23-64-39/h1-16,19-23H,17-18H2,(H,54,55)(H,57,62)(H,58,63)
InChIKeySIOCMJYDOQPACQ-UHFFFAOYSA-N
XLogP11.50
TPSA172.23 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.66
LogP ≤ 511.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-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-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea (CID 87984443) is 1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-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-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-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-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-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(C3=NCCN3)c2)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)N(C(=O)Nc1ccc(Oc2ccnc(-c3nnco3)c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is SIOCMJYDOQPACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28Cl2F6N10O5/c44-34-11-5-26(19-32(34)42(46,47)48)60(40(62)57-24-1-7-28(8-2-24)65-30-13-15-52-36(21-30)38-54-17-18-55-38)61(27-6-12-35(45)33(20-27)43(49,50)51)41(63)58-25-3-9-29(10-4-25)66-31-14-16-53-37(22-31)39-59-56-23-64-39/h1-16,19-23H,17-18H2,(H,54,55)(H,57,62)(H,58,63).
What are the key properties of 1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea?
1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-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 949.66 g/mol, XLogP of 11.50, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-N-[[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-3-(trifluoromethyl)anilino]-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 87984443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).