1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea

C15H14F4N4O — CID 155902664

IUPAC1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
SMILESO=C(Nc1ccccc1F)NC1CCc2ncc(C(F)(F)F)n2C1
InChIInChI=1S/C15H14F4N4O/c16-10-3-1-2-4-11(10)22-14(24)21-9-5-6-13-20-7-12(15(17,18)19)23(13)8-9/h1-4,7,9H,5-6,8H2,(H2,21,22,24)
InChIKeyOWYKUMJQCSAPAB-UHFFFAOYSA-N
MW342.30 g/mol
LogP3.18
Rot. Bonds2

About 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea

1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea (PubChem CID 155902664) has the molecular formula C15H14F4N4O and a molecular weight of 342.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
PubChem CID155902664
Molecular FormulaC15H14F4N4O
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC Name1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
SMILESO=C(Nc1ccccc1F)NC1CCc2ncc(C(F)(F)F)n2C1
InChIInChI=1S/C15H14F4N4O/c16-10-3-1-2-4-11(10)22-14(24)21-9-5-6-13-20-7-12(15(17,18)19)23(13)8-9/h1-4,7,9H,5-6,8H2,(H2,21,22,24)
InChIKeyOWYKUMJQCSAPAB-UHFFFAOYSA-N
XLogP3.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea with MolForge

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Related Compounds

1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
CID 155900026
1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 67293554
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534093
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea (CID 155902664) is 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea is O=C(Nc1ccccc1F)NC1CCc2ncc(C(F)(F)F)n2C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The InChIKey is OWYKUMJQCSAPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4O/c16-10-3-1-2-4-11(10)22-14(24)21-9-5-6-13-20-7-12(15(17,18)19)23(13)8-9/h1-4,7,9H,5-6,8H2,(H2,21,22,24).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea has a molecular weight of 342.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea is sourced from PubChem (CID 155902664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).