N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide

C18H16F3N3O2 — CID 90570672

IUPACN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O2/c1-2-23(12-14-11-22-16-5-3-4-10-24(14)16)17(25)13-6-8-15(9-7-13)26-18(19,20)21/h3-11H,2,12H2,1H3
InChIKeyZJYNTWKBMMSEEO-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.90
Rot. Bonds5

About N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide

N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 90570672) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
PubChem CID90570672
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O2/c1-2-23(12-14-11-22-16-5-3-4-10-24(14)16)17(25)13-6-8-15(9-7-13)26-18(19,20)21/h3-11H,2,12H2,1H3
InChIKeyZJYNTWKBMMSEEO-UHFFFAOYSA-N
XLogP3.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]urea
CID 71802043
N,2-diethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)butanamide
CID 90570483
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxypropanamide
CID 90570565
4-butoxy-N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzamide
CID 90569862
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea
CID 90570703
3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570690
methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
CID 90570118
1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570681
1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570706
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-9H-xanthene-9-carboxamide
CID 71802028
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide
CID 90569861
3-benzhydryl-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 71802045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide (CID 90570672) is N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide is CCN(Cc1cnc2ccccn12)C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is ZJYNTWKBMMSEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-2-23(12-14-11-22-16-5-3-4-10-24(14)16)17(25)13-6-8-15(9-7-13)26-18(19,20)21/h3-11H,2,12H2,1H3.
What are the key properties of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 363.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90570672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).