1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

C17H15F3N6O — CID 71808259

IUPAC1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCn1ccnc1-c1ncccn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)12-2-4-13(5-3-12)25-16(27)24-9-11-26-10-8-23-15(26)14-21-6-1-7-22-14/h1-8,10H,9,11H2,(H2,24,25,27)
InChIKeyNANKAHOOMUGTHH-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 71808259) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID71808259
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCn1ccnc1-c1ncccn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)12-2-4-13(5-3-12)25-16(27)24-9-11-26-10-8-23-15(26)14-21-6-1-7-22-14/h1-8,10H,9,11H2,(H2,24,25,27)
InChIKeyNANKAHOOMUGTHH-UHFFFAOYSA-N
XLogP3.18
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
CID 90589085
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
N-[2-(2-methylimidazol-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 61492963
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90572245
1-(4-aminobutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 55102555
1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 67816843
1-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 121022628
1-[4-(trifluoromethyl)phenyl]-3-[[6-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]-2-pyridinyl]methyl]urea
CID 122226336
1-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95980208
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60799942
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 71808259) is 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NCCn1ccnc1-c1ncccn1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NANKAHOOMUGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c18-17(19,20)12-2-4-13(5-3-12)25-16(27)24-9-11-26-10-8-23-15(26)14-21-6-1-7-22-14/h1-8,10H,9,11H2,(H2,24,25,27).
What are the key properties of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 376.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71808259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).