3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid

C86H83Cl6F3N22O7 — CID 161122879

IUPAC3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid
SMILESC=CCN1C(=C)Nc2c1ccnc2Cl.C=CCNc1ccnc(Cl)c1N.C=CCNc1ccncc1[N+](=O)[O-].C=CCn1c(=O)n(Cc2ccccc2)c2c(Cl)nccc21.CC#CCn1c(N2CCCCC2)nc2ccn(C)c(=O)c21.Clc1nccc2nc(Cl)n(Cc3ccccc3)c12.O=C(O)C(F)(F)F.O=c1[nH]c2ccnc(Cl)c2n1Cc1ccccc1
InChIInChI=1S/C16H14ClN3O.C16H20N4O.C13H9Cl2N3.C13H10ClN3O.C10H10ClN3.C8H10ClN3.C8H9N3O2.C2HF3O2/c1-2-10-19-13-8-9-18-15(17)14(13)20(16(19)21)11-12-6-4-3-5-7-12;1-3-4-11-20-14-13(8-12-18(2)15(14)21)17-16(20)19-9-6-5-7-10-19;14-12-11-10(6-7-16-12)17-13(15)18(11)8-9-4-2-1-3-5-9;14-12-11-10(6-7-15-12)16-13(18)17(11)8-9-4-2-1-3-5-9;1-3-6-14-7(2)13-9-8(14)4-5-12-10(9)11;1-2-4-11-6-3-5-12-8(9)7(6)10;1-2-4-10-7-3-5-9-6-8(7)11(12)13;3-2(4,5)1(6)7/h2-9H,1,10-11H2;8,12H,5-7,9-11H2,1-2H3;1-7H,8H2;1-7H,8H2,(H,16,18);3-5,13H,1-2,6H2;2-3,5H,1,4,10H2,(H,11,12);2-3,5-6H,1,4H2,(H,9,10);(H,6,7)
InChIKeyARWCRWCCPXTEIW-UHFFFAOYSA-N
MW1806.47 g/mol
LogP17.81
Rot. Bonds19

About 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid

3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 161122879) has the molecular formula C86H83Cl6F3N22O7 and a molecular weight of 1806.47 g/mol. Its IUPAC name is 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID161122879
Molecular FormulaC86H83Cl6F3N22O7
Molecular Weight1806.47 g/mol
Exact Mass1802.49
IUPAC Name3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid
SMILESC=CCN1C(=C)Nc2c1ccnc2Cl.C=CCNc1ccnc(Cl)c1N.C=CCNc1ccncc1[N+](=O)[O-].C=CCn1c(=O)n(Cc2ccccc2)c2c(Cl)nccc21.CC#CCn1c(N2CCCCC2)nc2ccn(C)c(=O)c21.Clc1nccc2nc(Cl)n(Cc3ccccc3)c12.O=C(O)C(F)(F)F.O=c1[nH]c2ccnc(Cl)c2n1Cc1ccccc1
InChIInChI=1S/C16H14ClN3O.C16H20N4O.C13H9Cl2N3.C13H10ClN3O.C10H10ClN3.C8H10ClN3.C8H9N3O2.C2HF3O2/c1-2-10-19-13-8-9-18-15(17)14(13)20(16(19)21)11-12-6-4-3-5-7-12;1-3-4-11-20-14-13(8-12-18(2)15(14)21)17-16(20)19-9-6-5-7-10-19;14-12-11-10(6-7-16-12)17-13(15)18(11)8-9-4-2-1-3-5-9;14-12-11-10(6-7-15-12)16-13(18)17(11)8-9-4-2-1-3-5-9;1-3-6-14-7(2)13-9-8(14)4-5-12-10(9)11;1-2-4-11-6-3-5-12-8(9)7(6)10;1-2-4-10-7-3-5-9-6-8(7)11(12)13;3-2(4,5)1(6)7/h2-9H,1,10-11H2;8,12H,5-7,9-11H2,1-2H3;1-7H,8H2;1-7H,8H2,(H,16,18);3-5,13H,1-2,6H2;2-3,5H,1,4,10H2,(H,11,12);2-3,5-6H,1,4H2,(H,9,10);(H,6,7)
InChIKeyARWCRWCCPXTEIW-UHFFFAOYSA-N
XLogP17.81
TPSA348.73 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001806.47
LogP ≤ 517.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;tert-butyl 4-(3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate;3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-1-prop-2-enyl-3H-imidazo[4,5-c]pyridin-2-one;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid
CID 157950068
tert-butyl 4-(3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(3-but-2-ynyl-5-methyl-4-oxoimidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-oxo-1H-imidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridine;3-but-2-ynyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-4-ylimidazo[4,5-d]pyridazin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 158068610
butyl 9-ethylpurine-2-carboxylate;2-chloro-N-ethyl-5-nitropyrimidin-4-amine;2-chloro-9-ethylpurine;2-chloro-4-N-ethylpyrimidine-4,5-diamine;2,4-dichloro-5-nitropyrimidine;ethanamine;9-ethylpurine-2-carboxylic acid;9-ethyl-N-[1-[5-[4-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]purine-2-carboxamide
CID 158269382
tert-butyl 4-(3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(3-but-2-ynyl-5-methyl-4-oxoimidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-oxo-1H-imidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridine;3-but-2-ynyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-4-ylimidazo[4,5-d]pyridazin-4-one;5-methyl-2-piperidin-4-yl-1H-imidazo[4,5-d]pyridazin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 160485153
tert-butyl 4-hydroxy-4-[(4-oxo-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-3-yl)methyl]piperidine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidine;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-[[4-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 160642157
3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-1-prop-2-enyl-3H-imidazo[4,5-c]pyridin-2-one;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid
CID 160714855
tert-butyl 4-(3-but-2-ynyl-5-methyl-4-oxoimidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-oxo-1H-imidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridine;3-but-2-ynyl-4-chloro-2-piperidin-1-ylimidazo[4,5-c]pyridine;3-but-2-ynyl-2-cyclohexyl-5-methylimidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-2,4-dichloroimidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 161508901
tert-butyl 4-(3-but-2-ynyl-5-methyl-4-oxoimidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-oxo-1H-imidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridine;3-but-2-ynyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-7-(dimethylamino)-5-methyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-5-methyl-2-piperidin-4-ylimidazo[4,5-d]pyridazin-4-one;5-methyl-2-piperidin-4-yl-1H-imidazo[4,5-d]pyridazin-4-one;tris(2,2,2-trifluoroacetic acid)
CID 161629513
tert-butyl 2-[6-amino-3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1,2-diethyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1,2-diethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide
CID 157194134
tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(3-amino-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-imidazo[4,5-c]pyridin-1-ylpiperidine-1-carboxylate;tert-butyl 4-[(3-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-(5-oxidoimidazo[4,5-c]pyridin-5-ium-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;4-chloro-3-nitropyridine;1-piperidin-4-yl-5H-imidazo[4,5-c]pyridin-4-one
CID 159870310
3-(4-chloro-2-fluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(3-chloro-4-pyridinyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,7-dimethyl-3-(2,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 160369569
tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(3-amino-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-imidazo[4,5-c]pyridin-1-ylpiperidine-1-carboxylate;tert-butyl 4-[(3-nitrosopyridin-1-ium-4-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(5-oxidoimidazo[4,5-c]pyridin-5-ium-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;4-chloro-3-nitrosopyridin-1-ium;1-piperidin-4-yl-5H-imidazo[4,5-c]pyridin-4-one;dihydroxide
CID 161574247

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid (CID 161122879) is 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid is C=CCN1C(=C)Nc2c1ccnc2Cl.C=CCNc1ccnc(Cl)c1N.C=CCNc1ccncc1[N+](=O)[O-].C=CCn1c(=O)n(Cc2ccccc2)c2c(Cl)nccc21.CC#CCn1c(N2CCCCC2)nc2ccn(C)c(=O)c21.Clc1nccc2nc(Cl)n(Cc3ccccc3)c12.O=C(O)C(F)(F)F.O=c1[nH]c2ccnc(Cl)c2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ARWCRWCCPXTEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.C16H20N4O.C13H9Cl2N3.C13H10ClN3O.C10H10ClN3.C8H10ClN3.C8H9N3O2.C2HF3O2/c1-2-10-19-13-8-9-18-15(17)14(13)20(16(19)21)11-12-6-4-3-5-7-12;1-3-4-11-20-14-13(8-12-18(2)15(14)21)17-16(20)19-9-6-5-7-10-19;14-12-11-10(6-7-16-12)17-13(15)18(11)8-9-4-2-1-3-5-9;14-12-11-10(6-7-15-12)16-13(18)17(11)8-9-4-2-1-3-5-9;1-3-6-14-7(2)13-9-8(14)4-5-12-10(9)11;1-2-4-11-6-3-5-12-8(9)7(6)10;1-2-4-10-7-3-5-9-6-8(7)11(12)13;3-2(4,5)1(6)7/h2-9H,1,10-11H2;8,12H,5-7,9-11H2,1-2H3;1-7H,8H2;1-7H,8H2,(H,16,18);3-5,13H,1-2,6H2;2-3,5H,1,4,10H2,(H,11,12);2-3,5-6H,1,4H2,(H,9,10);(H,6,7).
What are the key properties of 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid?
3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 1806.47 g/mol, XLogP of 17.81, 19 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;3-benzyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-2-methylidene-1-prop-2-enyl-3H-imidazo[4,5-c]pyridine;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161122879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).