2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C17H13BrF3N3O — CID 171146460

IUPAC2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cn2cc(Br)ccc2n1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13BrF3N3O/c18-12-5-6-15-23-13(10-24(15)9-12)7-16(25)22-8-11-3-1-2-4-14(11)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,25)
InChIKeyLHMCUIXPRWFNLG-UHFFFAOYSA-N
MW412.21 g/mol
LogP3.97
Rot. Bonds4

About 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 171146460) has the molecular formula C17H13BrF3N3O and a molecular weight of 412.21 g/mol. Its IUPAC name is 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID171146460
Molecular FormulaC17H13BrF3N3O
Molecular Weight412.21 g/mol
Exact Mass411.02
IUPAC Name2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cn2cc(Br)ccc2n1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13BrF3N3O/c18-12-5-6-15-23-13(10-24(15)9-12)7-16(25)22-8-11-3-1-2-4-14(11)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,25)
InChIKeyLHMCUIXPRWFNLG-UHFFFAOYSA-N
XLogP3.97
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82530333
N-(2-aminoethyl)-2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetamide
CID 39161966
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265567
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55975870
2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 55975996
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118113923
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride
CID 47062124
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 55976894
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 171146460) is 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cc1cn2cc(Br)ccc2n1)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is LHMCUIXPRWFNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N3O/c18-12-5-6-15-23-13(10-24(15)9-12)7-16(25)22-8-11-3-1-2-4-14(11)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,25).
What are the key properties of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 412.21 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 171146460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).