bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole

C110H95Cl8F4N33O7 — CID 159367830

About bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole

bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole (PubChem CID 159367830) has the molecular formula C110H95Cl8F4N33O7 and a molecular weight of 2350.81 g/mol. Its IUPAC name is bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole.

Molecular Properties

• Compound Name: bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole
• PubChem CID: 159367830
• Molecular Formula: C110H95Cl8F4N33O7
• Molecular Weight: 2350.81 g/mol
• Exact Mass: 2345.55
• IUPAC Name: bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole
• SMILES: CC1CC(Oc2ncc(Cl)c(-n3cnc(-c4ccc(Cl)c(C(F)(F)F)c4)c3)n2)C1.Clc1cnc(OC2CCC2)nc1-n1cnc2ccccc21.Clc1cnc(O[C@@H]2CCNC2)nc1-n1cnc2ccccc21.Fc1cc(CCOc2ncc(Cl)c(-n3cnc4ccccc43)n2)ccn1.NC1CC(Oc2ncc(Cl)c(-n3cnc4ccccc43)n2)C1.NC1CC(Oc2ncc(Cl)c(-n3cnc4ccccc43)n2)C1.[C-]#[N+]c1cn(-c2nc(OC3CC(C)C3)ncc2Cl)cn1
• InChI: InChI=1S/C19H15Cl2F3N4O.C18H13ClFN5O.3C15H14ClN5O.C15H13ClN4O.C13H12ClN5O/c1-10-4-12(5-10)29-18-25-7-15(21)17(27-18)28-8-16(26-9-28)11-2-3-14(20)13(6-11)19(22,23)24;19-13-10-22-18(26-8-6-12-5-7-21-16(20)9-12)24-17(13)25-11-23-14-3-1-2-4-15(14)25;2*16-11-7-18-15(22-10-5-9(17)6-10)20-14(11)21-8-19-12-3-1-2-4-13(12)21;16-11-8-18-15(22-10-5-6-17-7-10)20-14(11)21-9-19-12-3-1-2-4-13(12)21;16-11-8-17-15(21-10-4-3-5-10)19-14(11)20-9-18-12-6-1-2-7-13(12)20;1-8-3-9(4-8)20-13-16-5-10(14)12(18-13)19-6-11(15-2)17-7-19/h2-3,6-10,12H,4-5H2,1H3;1-5,7,9-11H,6,8H2;2*1-4,7-10H,5-6,17H2;1-4,8-10,17H,5-7H2;1-2,6-10H,3-5H2;5-9H,3-4H2,1H3/t;;;;10-;;/m....1../s1
• InChIKey: LJIWYMACEMLWIQ-CKXMUNOXSA-N
• XLogP: 22.79
• TPSA: 451.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2350.81
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

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 bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole?

The IUPAC name of bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole (CID 159367830) is bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole.

What is the SMILES notation for bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole?

The canonical SMILES for bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole is CC1CC(Oc2ncc(Cl)c(-n3cnc(-c4ccc(Cl)c(C(F)(F)F)c4)c3)n2)C1.Clc1cnc(OC2CCC2)nc1-n1cnc2ccccc21.Clc1cnc(O[C@@H]2CCNC2)nc1-n1cnc2ccccc21.Fc1cc(CCOc2ncc(Cl)c(-n3cnc4ccccc43)n2)ccn1.NC1CC(Oc2ncc(Cl)c(-n3cnc4ccccc43)n2)C1.NC1CC(Oc2ncc(Cl)c(-n3cnc4ccccc43)n2)C1.[C-]#[N+]c1cn(-c2nc(OC3CC(C)C3)ncc2Cl)cn1.

What is the InChIKey of bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole?

The InChIKey is LJIWYMACEMLWIQ-CKXMUNOXSA-N. The full InChI is InChI=1S/C19H15Cl2F3N4O.C18H13ClFN5O.3C15H14ClN5O.C15H13ClN4O.C13H12ClN5O/c1-10-4-12(5-10)29-18-25-7-15(21)17(27-18)28-8-16(26-9-28)11-2-3-14(20)13(6-11)19(22,23)24;19-13-10-22-18(26-8-6-12-5-7-21-16(20)9-12)24-17(13)25-11-23-14-3-1-2-4-15(14)25;2*16-11-7-18-15(22-10-5-9(17)6-10)20-14(11)21-8-19-12-3-1-2-4-13(12)21;16-11-8-18-15(22-10-5-6-17-7-10)20-14(11)21-9-19-12-3-1-2-4-13(12)21;16-11-8-17-15(21-10-4-3-5-10)19-14(11)20-9-18-12-6-1-2-7-13(12)20;1-8-3-9(4-8)20-13-16-5-10(14)12(18-13)19-6-11(15-2)17-7-19/h2-3,6-10,12H,4-5H2,1H3;1-5,7,9-11H,6,8H2;2*1-4,7-10H,5-6,17H2;1-4,8-10,17H,5-7H2;1-2,6-10H,3-5H2;5-9H,3-4H2,1H3/t;;;;10-;;/m....1../s1.

What are the key properties of bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole?

bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole has a molecular weight of 2350.81 g/mol, XLogP of 22.79, 24 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole is sourced from PubChem (CID 159367830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).