1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea

C21H15F3N4O2 — CID 122284041

IUPAC1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(-c2cn3ccccc3n2)cc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)30-17-10-8-16(9-11-17)26-20(29)25-15-6-4-14(5-7-15)18-13-28-12-2-1-3-19(28)27-18/h1-13H,(H2,25,26,29)
InChIKeyPNLGJRLTCCSAAS-UHFFFAOYSA-N
MW412.37 g/mol
LogP5.54
Rot. Bonds4

About 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 122284041) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID122284041
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(-c2cn3ccccc3n2)cc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)30-17-10-8-16(9-11-17)26-20(29)25-15-6-4-14(5-7-15)18-13-28-12-2-1-3-19(28)27-18/h1-13H,(H2,25,26,29)
InChIKeyPNLGJRLTCCSAAS-UHFFFAOYSA-N
XLogP5.54
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.37
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 122284041) is 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(-c2cn3ccccc3n2)cc1.
What is the InChIKey of 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is PNLGJRLTCCSAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-21(23,24)30-17-10-8-16(9-11-17)26-20(29)25-15-6-4-14(5-7-15)18-13-28-12-2-1-3-19(28)27-18/h1-13H,(H2,25,26,29).
What are the key properties of 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 412.37 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 122284041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).