1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea

C18H17F3N4O — CID 36505486

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCCc1cn2ccccc2n1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)14-5-3-4-13(10-14)11-23-17(26)22-8-7-15-12-25-9-2-1-6-16(25)24-15/h1-6,9-10,12H,7-8,11H2,(H2,22,23,26)
InChIKeyWYJIUVIGTMQYAA-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 36505486) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID36505486
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCCc1cn2ccccc2n1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)14-5-3-4-13(10-14)11-23-17(26)22-8-7-15-12-25-9-2-1-6-16(25)24-15/h1-6,9-10,12H,7-8,11H2,(H2,22,23,26)
InChIKeyWYJIUVIGTMQYAA-UHFFFAOYSA-N
XLogP3.39
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea
CID 167782875
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 47766787
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55922211
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900089
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900088
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122284110
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543843
1-(azetidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235419
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55597564

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 36505486) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea is O=C(NCCc1cn2ccccc2n1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is WYJIUVIGTMQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)14-5-3-4-13(10-14)11-23-17(26)22-8-7-15-12-25-9-2-1-6-16(25)24-15/h1-6,9-10,12H,7-8,11H2,(H2,22,23,26).
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 362.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 36505486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).