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

C23H16F3N5O4 — CID 56966198

IUPAC1-(1,3-benzodioxol-5-yl)-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)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H16F3N5O4/c24-23(25,26)20-11-28-21(31-20)17-10-16(7-8-27-17)35-15-4-1-13(2-5-15)29-22(32)30-14-3-6-18-19(9-14)34-12-33-18/h1-11H,12H2,(H,28,31)(H2,29,30,32)
InChIKeyGJKWAFYWXCFTQT-UHFFFAOYSA-N
MW483.41 g/mol
LogP5.66
Rot. Bonds5

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

1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea (PubChem CID 56966198) has the molecular formula C23H16F3N5O4 and a molecular weight of 483.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
PubChem CID56966198
Molecular FormulaC23H16F3N5O4
Molecular Weight483.41 g/mol
Exact Mass483.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-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)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H16F3N5O4/c24-23(25,26)20-11-28-21(31-20)17-10-16(7-8-27-17)35-15-4-1-13(2-5-15)29-22(32)30-14-3-6-18-19(9-14)34-12-33-18/h1-11H,12H2,(H,28,31)(H2,29,30,32)
InChIKeyGJKWAFYWXCFTQT-UHFFFAOYSA-N
XLogP5.66
TPSA110.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]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-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea (CID 56966198) is 1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-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)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is GJKWAFYWXCFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O4/c24-23(25,26)20-11-28-21(31-20)17-10-16(7-8-27-17)35-15-4-1-13(2-5-15)29-22(32)30-14-3-6-18-19(9-14)34-12-33-18/h1-11H,12H2,(H,28,31)(H2,29,30,32).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 483.41 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 56966198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).