[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane

C148H127Cl4F5N14O9 — CID 158232654

About [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane

[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane (PubChem CID 158232654) has the molecular formula C148H127Cl4F5N14O9 and a molecular weight of 2482.53 g/mol. Its IUPAC name is [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane.

Molecular Properties

• Compound Name: [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane
• PubChem CID: 158232654
• Molecular Formula: C148H127Cl4F5N14O9
• Molecular Weight: 2482.53 g/mol
• Exact Mass: 2478.86
• IUPAC Name: [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane
• SMILES: C.Cc1ccc(Oc2nc3c(F)c(-c4ccc5c(ccn5C)c4)c(F)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccc(CO)cc5)cc4)c(F)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(C5(CO)CC5)cc4)c(Cl)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(CO)cc4F)c(Cl)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(N5CCCC5)cc4)c(Cl)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(Cl)c(C#Cc4ccccc4F)cc3[nH]2)cc1C
• InChI: InChI=1S/C28H23FN2O2.C25H24ClN3O.C25H23ClN2O2.C24H19F2N3O.C23H16ClFN2O.C22H18ClFN2O2.CH4/c1-17-3-12-23(13-18(17)2)33-28-30-26-14-24(25(29)15-27(26)31-28)22-10-8-21(9-11-22)20-6-4-19(16-32)5-7-20;1-16-5-10-20(13-17(16)2)30-25-27-23-14-21(22(26)15-24(23)28-25)18-6-8-19(9-7-18)29-11-3-4-12-29;1-15-3-8-19(11-16(15)2)30-24-27-22-12-20(21(26)13-23(22)28-24)17-4-6-18(7-5-17)25(14-29)9-10-25;1-13-4-6-17(10-14(13)2)30-24-27-19-12-18(25)21(22(26)23(19)28-24)16-5-7-20-15(11-16)8-9-29(20)3;1-14-7-10-18(11-15(14)2)28-23-26-21-12-17(19(24)13-22(21)27-23)9-8-16-5-3-4-6-20(16)25;1-12-3-5-15(7-13(12)2)28-22-25-20-9-17(18(23)10-21(20)26-22)16-6-4-14(11-27)8-19(16)24;/h3-15,32H,16H2,1-2H3,(H,30,31);5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28);3-8,11-13,29H,9-10,14H2,1-2H3,(H,27,28);4-12H,1-3H3,(H,27,28);3-7,10-13H,1-2H3,(H,26,27);3-10,27H,11H2,1-2H3,(H,25,26);1H4
• InChIKey: GEOKYNIPEGANAP-UHFFFAOYSA-N
• XLogP: 39.28
• TPSA: 296.32 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2482.53
LogP ≤ 5	39.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane?

The IUPAC name of [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane (CID 158232654) is [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane.

What is the SMILES notation for [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane?

The canonical SMILES for [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane is C.Cc1ccc(Oc2nc3c(F)c(-c4ccc5c(ccn5C)c4)c(F)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccc(CO)cc5)cc4)c(F)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(C5(CO)CC5)cc4)c(Cl)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(CO)cc4F)c(Cl)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(N5CCCC5)cc4)c(Cl)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(Cl)c(C#Cc4ccccc4F)cc3[nH]2)cc1C.

What is the InChIKey of [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane?

The InChIKey is GEOKYNIPEGANAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O2.C25H24ClN3O.C25H23ClN2O2.C24H19F2N3O.C23H16ClFN2O.C22H18ClFN2O2.CH4/c1-17-3-12-23(13-18(17)2)33-28-30-26-14-24(25(29)15-27(26)31-28)22-10-8-21(9-11-22)20-6-4-19(16-32)5-7-20;1-16-5-10-20(13-17(16)2)30-25-27-23-14-21(22(26)15-24(23)28-25)18-6-8-19(9-7-18)29-11-3-4-12-29;1-15-3-8-19(11-16(15)2)30-24-27-22-12-20(21(26)13-23(22)28-24)17-4-6-18(7-5-17)25(14-29)9-10-25;1-13-4-6-17(10-14(13)2)30-24-27-19-12-18(25)21(22(26)23(19)28-24)16-5-7-20-15(11-16)8-9-29(20)3;1-14-7-10-18(11-15(14)2)28-23-26-21-12-17(19(24)13-22(21)27-23)9-8-16-5-3-4-6-20(16)25;1-12-3-5-15(7-13(12)2)28-22-25-20-9-17(18(23)10-21(20)26-22)16-6-4-14(11-27)8-19(16)24;/h3-15,32H,16H2,1-2H3,(H,30,31);5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28);3-8,11-13,29H,9-10,14H2,1-2H3,(H,27,28);4-12H,1-3H3,(H,27,28);3-7,10-13H,1-2H3,(H,26,27);3-10,27H,11H2,1-2H3,(H,25,26);1H4.

What are the key properties of [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane?

[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane has a molecular weight of 2482.53 g/mol, XLogP of 39.28, 23 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane is sourced from PubChem (CID 158232654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).