6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole

C52H52Cl5F6N8+ — CID 158686648

IUPAC6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole
SMILESC[n+]1ccn(CC2C3=C(CCN2CCCc2ccc(Cl)c(C(F)(F)F)n2)c2cc(Cl)ccc2C3)c1.Cn1ccnc1.FC(F)(F)c1nc(CCCN2CCC3=C(Cc4ccc(Cl)cc43)C2CCl)ccc1Cl
InChIInChI=1S/C26H26Cl2F3N4.C22H20Cl3F3N2.C4H6N2/c1-33-11-12-34(16-33)15-24-22-13-17-4-5-18(27)14-21(17)20(22)8-10-35(24)9-2-3-19-6-7-23(28)25(32-19)26(29,30)31;23-12-20-18-10-13-3-4-14(24)11-17(13)16(18)7-9-30(20)8-1-2-15-5-6-19(25)21(29-15)22(26,27)28;1-6-3-2-5-4-6/h4-7,11-12,14,16,24H,2-3,8-10,13,15H2,1H3;3-6,11,20H,1-2,7-10,12H2;2-4H,1H3/q+1;;
InChIKeyIFVARVUUXVMYDB-UHFFFAOYSA-N
MW1080.30 g/mol
LogP12.83
Rot. Bonds11

About 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole

6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole (PubChem CID 158686648) has the molecular formula C52H52Cl5F6N8+ and a molecular weight of 1080.30 g/mol. Its IUPAC name is 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole.

Molecular Properties

Compound Name6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole
PubChem CID158686648
Molecular FormulaC52H52Cl5F6N8+
Molecular Weight1080.30 g/mol
Exact Mass1077.27
IUPAC Name6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole
SMILESC[n+]1ccn(CC2C3=C(CCN2CCCc2ccc(Cl)c(C(F)(F)F)n2)c2cc(Cl)ccc2C3)c1.Cn1ccnc1.FC(F)(F)c1nc(CCCN2CCC3=C(Cc4ccc(Cl)cc43)C2CCl)ccc1Cl
InChIInChI=1S/C26H26Cl2F3N4.C22H20Cl3F3N2.C4H6N2/c1-33-11-12-34(16-33)15-24-22-13-17-4-5-18(27)14-21(17)20(22)8-10-35(24)9-2-3-19-6-7-23(28)25(32-19)26(29,30)31;23-12-20-18-10-13-3-4-14(24)11-17(13)16(18)7-9-30(20)8-1-2-15-5-6-19(25)21(29-15)22(26,27)28;1-6-3-2-5-4-6/h4-7,11-12,14,16,24H,2-3,8-10,13,15H2,1H3;3-6,11,20H,1-2,7-10,12H2;2-4H,1H3/q+1;;
InChIKeyIFVARVUUXVMYDB-UHFFFAOYSA-N
XLogP12.83
TPSA58.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.30
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole with MolForge

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Related Compounds

2-(4-Chlorophenyl)-3-[[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183052
2-(4-Chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
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6-Chloro-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
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6-Chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
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3-(4-Chlorophenyl)-1-{[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methyl}imidazo[1,5-a]pyridine
CID 4325156
2-(3-Chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51359995
5-[5-(4-Chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole
CID 71022797
6-[5-(3-Chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 134492243
6-[2-[5-Chloro-4-[6-(3-chlorophenyl)-5-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine
CID 155371081
(8R)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[6-chloro-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 157428926
2-[3-[[6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]methyl]imidazol-3-ium-1-yl]-N,N-dimethylethanamine;chloride;trihydrochloride
CID 157993147
N-[2-[1-[[3-(azetidin-3-yl)imidazol-1-ium-1-yl]methyl]-6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]ethyl]-5-chloro-N-methyl-6-(trifluoromethyl)pyridin-2-amine;chloride;hydrochloride
CID 158224975

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole?
The IUPAC name of 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole (CID 158686648) is 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole.
What is the SMILES notation for 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole?
The canonical SMILES for 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole is C[n+]1ccn(CC2C3=C(CCN2CCCc2ccc(Cl)c(C(F)(F)F)n2)c2cc(Cl)ccc2C3)c1.Cn1ccnc1.FC(F)(F)c1nc(CCCN2CCC3=C(Cc4ccc(Cl)cc43)C2CCl)ccc1Cl.
What is the InChIKey of 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole?
The InChIKey is IFVARVUUXVMYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2F3N4.C22H20Cl3F3N2.C4H6N2/c1-33-11-12-34(16-33)15-24-22-13-17-4-5-18(27)14-21(17)20(22)8-10-35(24)9-2-3-19-6-7-23(28)25(32-19)26(29,30)31;23-12-20-18-10-13-3-4-14(24)11-17(13)16(18)7-9-30(20)8-1-2-15-5-6-19(25)21(29-15)22(26,27)28;1-6-3-2-5-4-6/h4-7,11-12,14,16,24H,2-3,8-10,13,15H2,1H3;3-6,11,20H,1-2,7-10,12H2;2-4H,1H3/q+1;;.
What are the key properties of 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole?
6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole has a molecular weight of 1080.30 g/mol, XLogP of 12.83, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(chloromethyl)-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;6-chloro-2-[3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-methylimidazole is sourced from PubChem (CID 158686648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).