[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine

C19H17ClF3N3O — CID 39199582

IUPAC[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESC=C(C)COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2CN)cc1
InChIInChI=1S/C19H17ClF3N3O/c1-11(2)10-27-14-5-3-12(4-6-14)17-16(8-24)26-9-13(19(21,22)23)7-15(20)18(26)25-17/h3-7,9H,1,8,10,24H2,2H3
InChIKeySXNGJOFXQOUGFI-UHFFFAOYSA-N
MW395.81 g/mol
LogP5.09
Rot. Bonds5

About [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine

[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 39199582) has the molecular formula C19H17ClF3N3O and a molecular weight of 395.81 g/mol. Its IUPAC name is [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID39199582
Molecular FormulaC19H17ClF3N3O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESC=C(C)COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2CN)cc1
InChIInChI=1S/C19H17ClF3N3O/c1-11(2)10-27-14-5-3-12(4-6-14)17-16(8-24)26-9-13(19(21,22)23)7-15(20)18(26)25-17/h3-7,9H,1,8,10,24H2,2H3
InChIKeySXNGJOFXQOUGFI-UHFFFAOYSA-N
XLogP5.09
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.81
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199304
[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197000
[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199604
3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 3720934
8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 51360733
[8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199214
3,8-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-6-amine
CID 94823737
6-[3-(aminomethyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 39199464
3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 93206543
[3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197518
4-[8-chloro-3-(thiophen-3-ylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 53299753
[6-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 39125924

Frequently Asked Questions

What is the IUPAC name of [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 39199582) is [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine is C=C(C)COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2CN)cc1.
What is the InChIKey of [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is SXNGJOFXQOUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O/c1-11(2)10-27-14-5-3-12(4-6-14)17-16(8-24)26-9-13(19(21,22)23)7-15(20)18(26)25-17/h3-7,9H,1,8,10,24H2,2H3.
What are the key properties of [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 395.81 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 39199582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).