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

C84H80Cl6F3N23O8 — CID 160714855

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-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

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 (PubChem CID 160714855) has the molecular formula C84H80Cl6F3N23O8 and a molecular weight of 1809.43 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-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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160714855
• Molecular Formula: C84H80Cl6F3N23O8
• Molecular Weight: 1809.43 g/mol
• Exact Mass: 1805.46
• IUPAC Name: 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
• SMILES: C=CCNc1ccnc(Cl)c1N.C=CCNc1ccncc1[N+](=O)[O-].C=CCn1c(=O)[nH]c2c(Cl)nccc21.C=CCn1c(=O)n(Cc2ccccc2)c2c(Cl)nccc21.CC#CCn1c(N2CCNCC2)nc2ccn(C)c(=O)c21.Clc1nccc2nc(Cl)n(Cc3ccccc3)c12.O=C(O)C(F)(F)F.O=c1[nH]c2ccnc(Cl)c2n1Cc1ccccc1
• InChI: InChI=1S/C16H14ClN3O.C15H19N5O.C13H9Cl2N3.C13H10ClN3O.C9H8ClN3O.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;1-3-4-8-20-13-12(5-9-18(2)14(13)21)17-15(20)19-10-6-16-7-11-19;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;1-2-5-13-6-3-4-11-8(10)7(6)12-9(13)14;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;5,9,16H,6-8,10-11H2,1-2H3;1-7H,8H2;1-7H,8H2,(H,16,18);2-4H,1,5H2,(H,12,14);2-3,5H,1,4,10H2,(H,11,12);2-3,5-6H,1,4H2,(H,9,10);(H,6,7)
• InChIKey: UYOOESRHHUFMOL-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 383.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1809.43
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

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'}

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-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?

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-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) 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-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.

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-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?

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-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 is C=CCNc1ccnc(Cl)c1N.C=CCNc1ccncc1[N+](=O)[O-].C=CCn1c(=O)[nH]c2c(Cl)nccc21.C=CCn1c(=O)n(Cc2ccccc2)c2c(Cl)nccc21.CC#CCn1c(N2CCNCC2)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-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?

The InChIKey is UYOOESRHHUFMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.C15H19N5O.C13H9Cl2N3.C13H10ClN3O.C9H8ClN3O.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;1-3-4-8-20-13-12(5-9-18(2)14(13)21)17-15(20)19-10-6-16-7-11-19;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;1-2-5-13-6-3-4-11-8(10)7(6)12-9(13)14;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;5,9,16H,6-8,10-11H2,1-2H3;1-7H,8H2;1-7H,8H2,(H,16,18);2-4H,1,5H2,(H,12,14);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-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?

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 has a molecular weight of 1809.43 g/mol, XLogP of 15.17, 19 rotatable bonds, 7 hydrogen bond donors, and 27 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-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 is sourced from PubChem (CID 160714855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).