5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole

C104H94Cl6F2N26O6 — CID 159336894

About 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole

5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole (PubChem CID 159336894) has the molecular formula C104H94Cl6F2N26O6 and a molecular weight of 2054.79 g/mol. Its IUPAC name is 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole.

Molecular Properties

• Compound Name: 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole
• PubChem CID: 159336894
• Molecular Formula: C104H94Cl6F2N26O6
• Molecular Weight: 2054.79 g/mol
• Exact Mass: 2050.59
• IUPAC Name: 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole
• SMILES: CC(C)(COc1ncc(Cl)c(-n2cnc3ccccc32)n1)c1ccccc1.CC1CC(Oc2ncc(Cl)c(-n3cnc4ccccc43)n2)C1.Cc1cn(-c2nc(OC3CC(C)C3)ncc2Cl)cn1.Cc1cnc(OC2CC(C)C2)nc1-n1cnc2ccccc21.Fc1ccc2c(ncn2-c2nc(OCCc3ccccn3)ncc2Cl)c1F.[C-]#[N+]c1cnc(OC2CC(C)C2)nc1-n1cnc(-c2ccc(Cl)c(Cl)c2)c1
• InChI: InChI=1S/C21H19ClN4O.C19H15Cl2N5O.C18H12ClF2N5O.C17H18N4O.C16H15ClN4O.C13H15ClN4O/c1-21(2,15-8-4-3-5-9-15)13-27-20-23-12-16(22)19(25-20)26-14-24-17-10-6-7-11-18(17)26;1-11-5-13(6-11)27-19-23-8-16(22-2)18(25-19)26-9-17(24-10-26)12-3-4-14(20)15(21)7-12;19-12-9-23-18(27-8-6-11-3-1-2-7-22-11)25-17(12)26-10-24-16-14(26)5-4-13(20)15(16)21;1-11-7-13(8-11)22-17-18-9-12(2)16(20-17)21-10-19-14-5-3-4-6-15(14)21;1-10-6-11(7-10)22-16-18-8-12(17)15(20-16)21-9-19-13-4-2-3-5-14(13)21;1-8-3-10(4-8)19-13-15-5-11(14)12(17-13)18-6-9(2)16-7-18/h3-12,14H,13H2,1-2H3;3-4,7-11,13H,5-6H2,1H3;1-5,7,9-10H,6,8H2;3-6,9-11,13H,7-8H2,1-2H3;2-5,8-11H,6-7H2,1H3;5-8,10H,3-4H2,1-2H3
• InChIKey: LFQRFLXXDGTHRT-UHFFFAOYSA-N
• XLogP: 23.70
• TPSA: 334.23 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.79
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole?

The IUPAC name of 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole (CID 159336894) is 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole.

What is the SMILES notation for 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole?

The canonical SMILES for 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole is CC(C)(COc1ncc(Cl)c(-n2cnc3ccccc32)n1)c1ccccc1.CC1CC(Oc2ncc(Cl)c(-n3cnc4ccccc43)n2)C1.Cc1cn(-c2nc(OC3CC(C)C3)ncc2Cl)cn1.Cc1cnc(OC2CC(C)C2)nc1-n1cnc2ccccc21.Fc1ccc2c(ncn2-c2nc(OCCc3ccccn3)ncc2Cl)c1F.[C-]#[N+]c1cnc(OC2CC(C)C2)nc1-n1cnc(-c2ccc(Cl)c(Cl)c2)c1.

What is the InChIKey of 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole?

The InChIKey is LFQRFLXXDGTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O.C19H15Cl2N5O.C18H12ClF2N5O.C17H18N4O.C16H15ClN4O.C13H15ClN4O/c1-21(2,15-8-4-3-5-9-15)13-27-20-23-12-16(22)19(25-20)26-14-24-17-10-6-7-11-18(17)26;1-11-5-13(6-11)27-19-23-8-16(22-2)18(25-19)26-9-17(24-10-26)12-3-4-14(20)15(21)7-12;19-12-9-23-18(27-8-6-11-3-1-2-7-22-11)25-17(12)26-10-24-16-14(26)5-4-13(20)15(16)21;1-11-7-13(8-11)22-17-18-9-12(2)16(20-17)21-10-19-14-5-3-4-6-15(14)21;1-10-6-11(7-10)22-16-18-8-12(17)15(20-16)21-9-19-13-4-2-3-5-14(13)21;1-8-3-10(4-8)19-13-15-5-11(14)12(17-13)18-6-9(2)16-7-18/h3-12,14H,13H2,1-2H3;3-4,7-11,13H,5-6H2,1H3;1-5,7,9-10H,6,8H2;3-6,9-11,13H,7-8H2,1-2H3;2-5,8-11H,6-7H2,1H3;5-8,10H,3-4H2,1-2H3.

What are the key properties of 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole?

5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole has a molecular weight of 2054.79 g/mol, XLogP of 23.70, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(3-methylcyclobutyl)oxy-4-(4-methylimidazol-1-yl)pyrimidine;1-[5-chloro-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-methyl-2-phenylpropoxy)pyrimidin-4-yl]benzimidazole;1-[5-chloro-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-4,5-difluorobenzimidazole;4-[4-(3,4-dichlorophenyl)imidazol-1-yl]-5-isocyano-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-methyl-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole is sourced from PubChem (CID 159336894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).