2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine

C44H36ClF9N10S2 — CID 157248924

IUPAC2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine
SMILESCn1cc(-c2ccccc2)[nH]c1=S.Cn1cc(-c2ccccc2)nc1SCc1cn2c(C(F)(F)F)cccc2n1.FC(F)(F)c1cccc2nc(CCl)cn12.Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H15F3N4S.C10H10N2S.C9H6ClF3N2.C6H5F3N2/c1-25-11-15(13-6-3-2-4-7-13)24-18(25)27-12-14-10-26-16(19(20,21)22)8-5-9-17(26)23-14;1-12-7-9(11-10(12)13)8-5-3-2-4-6-8;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;7-6(8,9)4-2-1-3-5(10)11-4/h2-11H,12H2,1H3;2-7H,1H3,(H,11,13);1-3,5H,4H2;1-3H,(H2,10,11)
InChIKeyAWCNMIPUININNV-UHFFFAOYSA-N
MW975.41 g/mol
LogP12.57
Rot. Bonds6

About 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine

2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine (PubChem CID 157248924) has the molecular formula C44H36ClF9N10S2 and a molecular weight of 975.41 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine
PubChem CID157248924
Molecular FormulaC44H36ClF9N10S2
Molecular Weight975.41 g/mol
Exact Mass974.21
IUPAC Name2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine
SMILESCn1cc(-c2ccccc2)[nH]c1=S.Cn1cc(-c2ccccc2)nc1SCc1cn2c(C(F)(F)F)cccc2n1.FC(F)(F)c1cccc2nc(CCl)cn12.Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H15F3N4S.C10H10N2S.C9H6ClF3N2.C6H5F3N2/c1-25-11-15(13-6-3-2-4-7-13)24-18(25)27-12-14-10-26-16(19(20,21)22)8-5-9-17(26)23-14;1-12-7-9(11-10(12)13)8-5-3-2-4-6-8;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;7-6(8,9)4-2-1-3-5(10)11-4/h2-11H,12H2,1H3;2-7H,1H3,(H,11,13);1-3,5H,4H2;1-3H,(H2,10,11)
InChIKeyAWCNMIPUININNV-UHFFFAOYSA-N
XLogP12.57
TPSA112.05 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.41
LogP ≤ 512.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

6-N-(3-chloropropylsulfanyl)-2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine
CID 130283411
N-[2-ethyl-6-[4-(1-pyrrolidin-2-ylethenyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 144700773
2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(1-methyl-4-phenyl-2,3-dihydropyrrol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;1-methyl-4-phenyl-3H-pyrrole-2-thione;6-methylpyridin-2-amine
CID 157160435
2-(Chloromethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridine;2-(pyridin-2-ylsulfanylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridine
CID 157199016
2-(3-Fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
CID 158432380
2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;1-methyl-4-phenyl-3H-pyrrole-2-thione;6-methylpyridin-2-amine
CID 160665164
N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane
CID 144700798
4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-N-[4-[1-(2,6-dimethylanilino)ethenyl]-2-fluorophenyl]-1,3-thiazol-2-amine;4-[5-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-fluoro-4-[1-(2-fluoro-6-methylanilino)ethenyl]phenyl]-1,3-thiazol-2-amine;ethane
CID 145540673
5-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-N-[3-[1-[(2-methyl-3-pyridinyl)amino]ethenyl]phenyl]-1,3-thiazol-2-amine;3-N-[1-[3-[[5-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethenyl]pyridine-2,3-diamine;ethane
CID 145540933
2-N-[1-[4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethenyl]benzene-1,2-diamine;3-N-[1-[4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethenyl]pyridine-2,3-diamine
CID 145540999
2-(2,4-Difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 157109822
2-(Chloromethyl)-1-methyl-4-phenylimidazole;1-imidazol-1-yl-2-(2-imino-1-pyridinyl)ethanethione;methane;2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157168056

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine (CID 157248924) is 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine is Cn1cc(-c2ccccc2)[nH]c1=S.Cn1cc(-c2ccccc2)nc1SCc1cn2c(C(F)(F)F)cccc2n1.FC(F)(F)c1cccc2nc(CCl)cn12.Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AWCNMIPUININNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4S.C10H10N2S.C9H6ClF3N2.C6H5F3N2/c1-25-11-15(13-6-3-2-4-7-13)24-18(25)27-12-14-10-26-16(19(20,21)22)8-5-9-17(26)23-14;1-12-7-9(11-10(12)13)8-5-3-2-4-6-8;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;7-6(8,9)4-2-1-3-5(10)11-4/h2-11H,12H2,1H3;2-7H,1H3,(H,11,13);1-3,5H,4H2;1-3H,(H2,10,11).
What are the key properties of 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine?
2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 975.41 g/mol, XLogP of 12.57, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 157248924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).