6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one

C99H128ClFN20O7 — CID 158695088

About 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one

6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 158695088) has the molecular formula C99H128ClFN20O7 and a molecular weight of 1764.70 g/mol. Its IUPAC name is 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one
• PubChem CID: 158695088
• Molecular Formula: C99H128ClFN20O7
• Molecular Weight: 1764.70 g/mol
• Exact Mass: 1762.99
• IUPAC Name: 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one
• SMILES: CC(F)Cn1c(=O)n(C2CCC(C)CC2)c2ccncc21.CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.CC1CCC(n2c(=O)[nH]c3cccnc32)CC1.CC1CCC(n2c(=O)[nH]c3cnc(Cl)cc32)CC1.Cc1cc2c(cn1)[nH]c(=O)n2C1CCC(C)CC1.Cc1cccc2c1[nH]c(=O)n2C1CCC(C)CC1.[C-]#[N+]c1cc2c(cn1)[nH]c(=O)n2C1CCC(C)CC1
• InChI: InChI=1S/C16H22FN3O.C15H20N2O.C14H16N4O.C14H19N3O.C14H18N2O.C13H16ClN3O.C13H17N3O/c1-11-3-5-13(6-4-11)20-14-7-8-18-9-15(14)19(16(20)21)10-12(2)17;1-10-6-8-12(9-7-10)17-13-5-3-4-11(2)14(13)16-15(17)18;1-9-3-5-10(6-4-9)18-12-7-13(15-2)16-8-11(12)17-14(18)19;1-9-3-5-11(6-4-9)17-13-7-10(2)15-8-12(13)16-14(17)18;1-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)15-14(16)17;1-8-2-4-9(5-3-8)17-11-6-12(14)15-7-10(11)16-13(17)18;1-9-4-6-10(7-5-9)16-12-11(15-13(16)17)3-2-8-14-12/h7-9,11-13H,3-6,10H2,1-2H3;3-5,10,12H,6-9H2,1-2H3,(H,16,18);7-10H,3-6H2,1H3,(H,17,19);7-9,11H,3-6H2,1-2H3,(H,16,18);2-5,10-11H,6-9H2,1H3,(H,15,17);6-9H,2-5H2,1H3,(H,16,18);2-3,8-10H,4-7H2,1H3,(H,15,17)
• InChIKey: IGVITRXMEQYIAL-UHFFFAOYSA-N
• XLogP: 21.19
• TPSA: 322.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1764.70
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 158695088) is 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one is CC(F)Cn1c(=O)n(C2CCC(C)CC2)c2ccncc21.CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.CC1CCC(n2c(=O)[nH]c3cccnc32)CC1.CC1CCC(n2c(=O)[nH]c3cnc(Cl)cc32)CC1.Cc1cc2c(cn1)[nH]c(=O)n2C1CCC(C)CC1.Cc1cccc2c1[nH]c(=O)n2C1CCC(C)CC1.[C-]#[N+]c1cc2c(cn1)[nH]c(=O)n2C1CCC(C)CC1.

What is the InChIKey of 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one?

The InChIKey is IGVITRXMEQYIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O.C15H20N2O.C14H16N4O.C14H19N3O.C14H18N2O.C13H16ClN3O.C13H17N3O/c1-11-3-5-13(6-4-11)20-14-7-8-18-9-15(14)19(16(20)21)10-12(2)17;1-10-6-8-12(9-7-10)17-13-5-3-4-11(2)14(13)16-15(17)18;1-9-3-5-10(6-4-9)18-12-7-13(15-2)16-8-11(12)17-14(18)19;1-9-3-5-11(6-4-9)17-13-7-10(2)15-8-12(13)16-14(17)18;1-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)15-14(16)17;1-8-2-4-9(5-3-8)17-11-6-12(14)15-7-10(11)16-13(17)18;1-9-4-6-10(7-5-9)16-12-11(15-13(16)17)3-2-8-14-12/h7-9,11-13H,3-6,10H2,1-2H3;3-5,10,12H,6-9H2,1-2H3,(H,16,18);7-10H,3-6H2,1H3,(H,17,19);7-9,11H,3-6H2,1-2H3,(H,16,18);2-5,10-11H,6-9H2,1H3,(H,15,17);6-9H,2-5H2,1H3,(H,16,18);2-3,8-10H,4-7H2,1H3,(H,15,17).

What are the key properties of 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one?

6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 1764.70 g/mol, XLogP of 21.19, 9 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(2-fluoropropyl)-1-(4-methylcyclohexyl)imidazo[4,5-c]pyridin-2-one;6-isocyano-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one;3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one;7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;6-methyl-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 158695088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).