5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)

C115H146F2N20O9 — CID 157234378

IUPAC5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)
SMILESCC1CCC(N2C(=O)C(C)(F)c3ccccc32)CC1.CC1CCC(c2c[nH]c(=O)c(-c3ncccn3)c2)CC1.CC1CCC(c2nnc(-c3ccccc3)o2)CC1.CC1CCC(n2c(=O)[nH]c3cncnc32)CC1.CC1CCC(n2c(=O)oc3cccnc32)CC1.Cc1cc(F)cc2c1[nH]c(=O)n2C1CCC(C)CC1.Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(C)CC1.Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(C)CC1
InChIInChI=1S/C16H20FNO.C16H19N3O.C15H19FN2O.C15H18N2O.2C14H19N3O.C13H16N2O2.C12H16N4O/c1-11-7-9-12(10-8-11)18-14-6-4-3-5-13(14)16(2,17)15(18)19;1-11-3-5-12(6-4-11)13-9-14(16(20)19-10-13)15-17-7-2-8-18-15;1-9-3-5-12(6-4-9)18-13-8-11(16)7-10(2)14(13)17-15(18)19;1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;2*1-9-3-5-11(6-4-9)17-13-12(16-14(17)18)7-10(2)8-15-13;1-9-4-6-10(7-5-9)15-12-11(17-13(15)16)3-2-8-14-12;1-8-2-4-9(5-3-8)16-11-10(15-12(16)17)6-13-7-14-11/h3-6,11-12H,7-10H2,1-2H3;2,7-12H,3-6H2,1H3,(H,19,20);7-9,12H,3-6H2,1-2H3,(H,17,19);2-6,11,13H,7-10H2,1H3;2*7-9,11H,3-6H2,1-2H3,(H,16,18);2-3,8-10H,4-7H2,1H3;6-9H,2-5H2,1H3,(H,15,17)
InChIKeyAULSAKSIIYEHMT-UHFFFAOYSA-N
MW1990.56 g/mol
LogP24.66
Rot. Bonds10

About 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)

5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one) (PubChem CID 157234378) has the molecular formula C115H146F2N20O9 and a molecular weight of 1990.56 g/mol. Its IUPAC name is 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one).

Molecular Properties

Compound Name5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)
PubChem CID157234378
Molecular FormulaC115H146F2N20O9
Molecular Weight1990.56 g/mol
Exact Mass1989.15
IUPAC Name5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)
SMILESCC1CCC(N2C(=O)C(C)(F)c3ccccc32)CC1.CC1CCC(c2c[nH]c(=O)c(-c3ncccn3)c2)CC1.CC1CCC(c2nnc(-c3ccccc3)o2)CC1.CC1CCC(n2c(=O)[nH]c3cncnc32)CC1.CC1CCC(n2c(=O)oc3cccnc32)CC1.Cc1cc(F)cc2c1[nH]c(=O)n2C1CCC(C)CC1.Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(C)CC1.Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(C)CC1
InChIInChI=1S/C16H20FNO.C16H19N3O.C15H19FN2O.C15H18N2O.2C14H19N3O.C13H16N2O2.C12H16N4O/c1-11-7-9-12(10-8-11)18-14-6-4-3-5-13(14)16(2,17)15(18)19;1-11-3-5-12(6-4-11)13-9-14(16(20)19-10-13)15-17-7-2-8-18-15;1-9-3-5-12(6-4-9)18-13-8-11(16)7-10(2)14(13)17-15(18)19;1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;2*1-9-3-5-11(6-4-9)17-13-12(16-14(17)18)7-10(2)8-15-13;1-9-4-6-10(7-5-9)15-12-11(17-13(15)16)3-2-8-14-12;1-8-2-4-9(5-3-8)16-11-10(15-12(16)17)6-13-7-14-11/h3-6,11-12H,7-10H2,1-2H3;2,7-12H,3-6H2,1H3,(H,19,20);7-9,12H,3-6H2,1-2H3,(H,17,19);2-6,11,13H,7-10H2,1H3;2*7-9,11H,3-6H2,1-2H3,(H,16,18);2-3,8-10H,4-7H2,1H3;6-9H,2-5H2,1H3,(H,15,17)
InChIKeyAULSAKSIIYEHMT-UHFFFAOYSA-N
XLogP24.66
TPSA368.62 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001990.56
LogP ≤ 524.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)?
The IUPAC name of 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one) (CID 157234378) is 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one).
What is the SMILES notation for 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)?
The canonical SMILES for 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one) is CC1CCC(N2C(=O)C(C)(F)c3ccccc32)CC1.CC1CCC(c2c[nH]c(=O)c(-c3ncccn3)c2)CC1.CC1CCC(c2nnc(-c3ccccc3)o2)CC1.CC1CCC(n2c(=O)[nH]c3cncnc32)CC1.CC1CCC(n2c(=O)oc3cccnc32)CC1.Cc1cc(F)cc2c1[nH]c(=O)n2C1CCC(C)CC1.Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(C)CC1.Cc1cnc2c(c1)[nH]c(=O)n2C1CCC(C)CC1.
What is the InChIKey of 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)?
The InChIKey is AULSAKSIIYEHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO.C16H19N3O.C15H19FN2O.C15H18N2O.2C14H19N3O.C13H16N2O2.C12H16N4O/c1-11-7-9-12(10-8-11)18-14-6-4-3-5-13(14)16(2,17)15(18)19;1-11-3-5-12(6-4-11)13-9-14(16(20)19-10-13)15-17-7-2-8-18-15;1-9-3-5-12(6-4-9)18-13-8-11(16)7-10(2)14(13)17-15(18)19;1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;2*1-9-3-5-11(6-4-9)17-13-12(16-14(17)18)7-10(2)8-15-13;1-9-4-6-10(7-5-9)15-12-11(17-13(15)16)3-2-8-14-12;1-8-2-4-9(5-3-8)16-11-10(15-12(16)17)6-13-7-14-11/h3-6,11-12H,7-10H2,1-2H3;2,7-12H,3-6H2,1H3,(H,19,20);7-9,12H,3-6H2,1-2H3,(H,17,19);2-6,11,13H,7-10H2,1H3;2*7-9,11H,3-6H2,1-2H3,(H,16,18);2-3,8-10H,4-7H2,1H3;6-9H,2-5H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)?
5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one) has a molecular weight of 1990.56 g/mol, XLogP of 24.66, 10 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one) is sourced from PubChem (CID 157234378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).