2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

C18H14Cl2F3N3O2 — CID 67767729

IUPAC2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1COCC(F)(F)F
InChIInChI=1S/C18H14Cl2F3N3O2/c1-10-14(8-28-9-18(21,22)23)26-7-3-6-13(16(26)24-10)25-17(27)15-11(19)4-2-5-12(15)20/h2-7H,8-9H2,1H3,(H,25,27)
InChIKeyNHENNVSZKANXTJ-UHFFFAOYSA-N
MW432.23 g/mol
LogP5.28
Rot. Bonds5

About 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 67767729) has the molecular formula C18H14Cl2F3N3O2 and a molecular weight of 432.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID67767729
Molecular FormulaC18H14Cl2F3N3O2
Molecular Weight432.23 g/mol
Exact Mass431.04
IUPAC Name2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1COCC(F)(F)F
InChIInChI=1S/C18H14Cl2F3N3O2/c1-10-14(8-28-9-18(21,22)23)26-7-3-6-13(16(26)24-10)25-17(27)15-11(19)4-2-5-12(15)20/h2-7H,8-9H2,1H3,(H,25,27)
InChIKeyNHENNVSZKANXTJ-UHFFFAOYSA-N
XLogP5.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[8-[(2,6-dichlorobenzoyl)amino]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl acetate
CID 57093826
2,6-dichloro-N-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 54237289
2,6-dichloro-N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 67767428
ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 57170960
2,6-dichloro-N-[2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide
CID 54015598
2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 57001168
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
CID 57028334
2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
CID 139797439
N-[3-[(3-bromopropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide
CID 139797440
2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
CID 54570152
8-[(2,6-dichlorobenzoyl)amino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 54366359
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 57020246

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (CID 67767729) is 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1COCC(F)(F)F.
What is the InChIKey of 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is NHENNVSZKANXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O2/c1-10-14(8-28-9-18(21,22)23)26-7-3-6-13(16(26)24-10)25-17(27)15-11(19)4-2-5-12(15)20/h2-7H,8-9H2,1H3,(H,25,27).
What are the key properties of 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 432.23 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 67767729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).