[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine

C19H19ClF3N3 — CID 39199304

IUPAC[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2CN)cc1
InChIInChI=1S/C19H19ClF3N3/c1-18(2,3)12-6-4-11(5-7-12)16-15(9-24)26-10-13(19(21,22)23)8-14(20)17(26)25-16/h4-8,10H,9,24H2,1-3H3
InChIKeyHOLPZKOXDPWJHF-UHFFFAOYSA-N
MW381.83 g/mol
LogP5.43
Rot. Bonds2

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

[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 39199304) has the molecular formula C19H19ClF3N3 and a molecular weight of 381.83 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID39199304
Molecular FormulaC19H19ClF3N3
Molecular Weight381.83 g/mol
Exact Mass381.12
IUPAC Name[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2CN)cc1
InChIInChI=1S/C19H19ClF3N3/c1-18(2,3)12-6-4-11(5-7-12)16-15(9-24)26-10-13(19(21,22)23)8-14(20)17(26)25-16/h4-8,10H,9,24H2,1-3H3
InChIKeyHOLPZKOXDPWJHF-UHFFFAOYSA-N
XLogP5.43
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199582
[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199604
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
6-[3-(aminomethyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 39199464
3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 3720934
[2-(4-tert-butylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060626
4-[8-chloro-3-(thiophen-3-ylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 53299753
2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030290
[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367613
6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 67028901
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 62676097

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 39199304) is [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine is CC(C)(C)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2CN)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is HOLPZKOXDPWJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3/c1-18(2,3)12-6-4-11(5-7-12)16-15(9-24)26-10-13(19(21,22)23)8-14(20)17(26)25-16/h4-8,10H,9,24H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 381.83 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 39199304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).