N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide

C23H24F3N3O — CID 66991399

IUPACN-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cn2c1CC1CCCCC1
InChIInChI=1S/C23H24F3N3O/c24-23(25,26)18-11-12-20-27-22(28-21(30)14-17-9-5-2-6-10-17)19(29(20)15-18)13-16-7-3-1-4-8-16/h2,5-6,9-12,15-16H,1,3-4,7-8,13-14H2,(H,28,30)
InChIKeyOBLMNIUNXQYQPV-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.66
Rot. Bonds5

About N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide

N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide (PubChem CID 66991399) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide
PubChem CID66991399
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC NameN-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cn2c1CC1CCCCC1
InChIInChI=1S/C23H24F3N3O/c24-23(25,26)18-11-12-20-27-22(28-21(30)14-17-9-5-2-6-10-17)19(29(20)15-18)13-16-7-3-1-4-8-16/h2,5-6,9-12,15-16H,1,3-4,7-8,13-14H2,(H,28,30)
InChIKeyOBLMNIUNXQYQPV-UHFFFAOYSA-N
XLogP5.66
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 66991434
N-[3-(2,2-dimethylpropyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
CID 66992189
N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448
N-[6-fluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide
CID 66991969
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
2-(4-phenylphenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 24523382
(3S)-4-phenyl-1-piperidin-2-yl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]butan-1-one
CID 58431938
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
N-(2-hydroxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62366302
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063206
2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060793

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide (CID 66991399) is N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cn2c1CC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide?
The InChIKey is OBLMNIUNXQYQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c24-23(25,26)18-11-12-20-27-22(28-21(30)14-17-9-5-2-6-10-17)19(29(20)15-18)13-16-7-3-1-4-8-16/h2,5-6,9-12,15-16H,1,3-4,7-8,13-14H2,(H,28,30).
What are the key properties of N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide?
N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide has a molecular weight of 415.46 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylacetamide is sourced from PubChem (CID 66991399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).