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

C45H40ClF6N9S2 — CID 160665164

IUPAC2-(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
SMILESCN1C=C(c2ccccc2)CC1=S.Cc1cccc(N)n1.Cn1cc(-c2ccccc2)nc1SCc1cn2c(C(F)(F)F)cccc2n1.FC(F)(F)c1cccc2nc(CCl)cn12
InChIInChI=1S/C19H15F3N4S.C11H11NS.C9H6ClF3N2.C6H8N2/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;1-12-8-10(7-11(12)13)9-5-3-2-4-6-9;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;1-5-3-2-4-6(7)8-5/h2-11H,12H2,1H3;2-6,8H,7H2,1H3;1-3,5H,4H2;2-4H,1H3,(H2,7,8)
InChIKeyRMETYBLAACGZJR-UHFFFAOYSA-N
MW920.45 g/mol
LogP11.80
Rot. Bonds6

About 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

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 (PubChem CID 160665164) has the molecular formula C45H40ClF6N9S2 and a molecular weight of 920.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160665164
Molecular FormulaC45H40ClF6N9S2
Molecular Weight920.45 g/mol
Exact Mass919.24
IUPAC Name2-(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
SMILESCN1C=C(c2ccccc2)CC1=S.Cc1cccc(N)n1.Cn1cc(-c2ccccc2)nc1SCc1cn2c(C(F)(F)F)cccc2n1.FC(F)(F)c1cccc2nc(CCl)cn12
InChIInChI=1S/C19H15F3N4S.C11H11NS.C9H6ClF3N2.C6H8N2/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;1-12-8-10(7-11(12)13)9-5-3-2-4-6-9;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;1-5-3-2-4-6(7)8-5/h2-11H,12H2,1H3;2-6,8H,7H2,1H3;1-3,5H,4H2;2-4H,1H3,(H2,7,8)
InChIKeyRMETYBLAACGZJR-UHFFFAOYSA-N
XLogP11.80
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.45
LogP ≤ 511.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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;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 with MolForge

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Related Compounds

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
CID 130283378
N-[6-[1-(3-chloropropylsulfanyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 130283381
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
N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 155112605
N-[2-ethyl-6-[4-(3-pyrrolidin-1-ylpropylsulfanyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 155469612
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-(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
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-Chloro-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone;2-(3,3-difluoroazetidin-1-yl)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
CID 159517444
8-Methyl-2-[[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 56236249

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C=C(c2ccccc2)CC1=S.Cc1cccc(N)n1.Cn1cc(-c2ccccc2)nc1SCc1cn2c(C(F)(F)F)cccc2n1.FC(F)(F)c1cccc2nc(CCl)cn12.
What is the InChIKey of 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?
The InChIKey is RMETYBLAACGZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4S.C11H11NS.C9H6ClF3N2.C6H8N2/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;1-12-8-10(7-11(12)13)9-5-3-2-4-6-9;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;1-5-3-2-4-6(7)8-5/h2-11H,12H2,1H3;2-6,8H,7H2,1H3;1-3,5H,4H2;2-4H,1H3,(H2,7,8).
What are the key properties of 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?
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 has a molecular weight of 920.45 g/mol, XLogP of 11.80, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160665164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).