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

C17H21F3N4O — CID 55597564

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCCc1cn2ccccc2n1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H21F3N4O/c18-17(19,20)12-4-3-5-13(10-12)23-16(25)21-8-7-14-11-24-9-2-1-6-15(24)22-14/h1-2,6,9,11-13H,3-5,7-8,10H2,(H2,21,23,25)
InChIKeyHNJWFRYJMGJKMI-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.30
Rot. Bonds4

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

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 55597564) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID55597564
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCCc1cn2ccccc2n1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H21F3N4O/c18-17(19,20)12-4-3-5-13(10-12)23-16(25)21-8-7-14-11-24-9-2-1-6-15(24)22-14/h1-2,6,9,11-13H,3-5,7-8,10H2,(H2,21,23,25)
InChIKeyHNJWFRYJMGJKMI-UHFFFAOYSA-N
XLogP3.30
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea
CID 71899681
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55590613
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 36505486
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87003227
4-(hydroxymethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-1-carboxamide
CID 110895574
cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 31008529
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea
CID 167782875
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 55597564) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea is O=C(NCCc1cn2ccccc2n1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is HNJWFRYJMGJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c18-17(19,20)12-4-3-5-13(10-12)23-16(25)21-8-7-14-11-24-9-2-1-6-15(24)22-14/h1-2,6,9,11-13H,3-5,7-8,10H2,(H2,21,23,25).
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 354.38 g/mol, XLogP of 3.30, 4 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)cyclohexyl]urea is sourced from PubChem (CID 55597564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).