1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea

C16H17F3N4O — CID 155900026

IUPAC1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
SMILESCc1ccc(NC(=O)NC2CCc3ncc(C(F)(F)F)n3C2)cc1
InChIInChI=1S/C16H17F3N4O/c1-10-2-4-11(5-3-10)21-15(24)22-12-6-7-14-20-8-13(16(17,18)19)23(14)9-12/h2-5,8,12H,6-7,9H2,1H3,(H2,21,22,24)
InChIKeyPVXVSODRXWJPIR-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.35
Rot. Bonds2

About 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea

1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea (PubChem CID 155900026) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
PubChem CID155900026
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
SMILESCc1ccc(NC(=O)NC2CCc3ncc(C(F)(F)F)n3C2)cc1
InChIInChI=1S/C16H17F3N4O/c1-10-2-4-11(5-3-10)21-15(24)22-12-6-7-14-20-8-13(16(17,18)19)23(14)9-12/h2-5,8,12H,6-7,9H2,1H3,(H2,21,22,24)
InChIKeyPVXVSODRXWJPIR-UHFFFAOYSA-N
XLogP3.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
CID 155902664
1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
CID 97343562
1-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-pyridin-4-ylurea
CID 75475624
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
CID 97344451
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
5-[[(6S)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbamoylamino]-2-methylbenzamide
CID 97346852
1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99581775
1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]urea
CID 154797862
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea (CID 155900026) is 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea is Cc1ccc(NC(=O)NC2CCc3ncc(C(F)(F)F)n3C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
The InChIKey is PVXVSODRXWJPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10-2-4-11(5-3-10)21-15(24)22-12-6-7-14-20-8-13(16(17,18)19)23(14)9-12/h2-5,8,12H,6-7,9H2,1H3,(H2,21,22,24).
What are the key properties of 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea?
1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea has a molecular weight of 338.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea is sourced from PubChem (CID 155900026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).