carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane

C125H109Cl3F4N12O9 — CID 159300507

About carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane

carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane (PubChem CID 159300507) has the molecular formula C125H109Cl3F4N12O9 and a molecular weight of 2105.67 g/mol. Its IUPAC name is carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane.

Molecular Properties

• Compound Name: carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane
• PubChem CID: 159300507
• Molecular Formula: C125H109Cl3F4N12O9
• Molecular Weight: 2105.67 g/mol
• Exact Mass: 2102.74
• IUPAC Name: carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane
• SMILES: C.Cc1ccc(Oc2nc3c(F)c(-c4ccc5c(ccn5C)c4)c(F)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)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.O=C=O
• InChI: InChI=1S/C27H21FN2O.C25H24ClN3O.C25H23ClN2O2.C24H19F2N3O.C22H18ClFN2O2.CO2.CH4/c1-17-8-13-22(14-18(17)2)31-27-29-25-15-23(24(28)16-26(25)30-27)21-11-9-20(10-12-21)19-6-4-3-5-7-19;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;1-12-3-5-15(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;2-1-3;/h3-16H,1-2H3,(H,29,30);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);3-10,27H,11H2,1-2H3,(H,25,26);;1H4
• InChIKey: LBGRJKDMPJBNAY-UHFFFAOYSA-N
• XLogP: 33.04
• TPSA: 272.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2105.67
LogP ≤ 5	33.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane?

The IUPAC name of carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane (CID 159300507) is carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane.

What is the SMILES notation for carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane?

The canonical SMILES for carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane is C.Cc1ccc(Oc2nc3c(F)c(-c4ccc5c(ccn5C)c4)c(F)cc3[nH]2)cc1C.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)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.O=C=O.

What is the InChIKey of carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane?

The InChIKey is LBGRJKDMPJBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O.C25H24ClN3O.C25H23ClN2O2.C24H19F2N3O.C22H18ClFN2O2.CO2.CH4/c1-17-8-13-22(14-18(17)2)31-27-29-25-15-23(24(28)16-26(25)30-27)21-11-9-20(10-12-21)19-6-4-3-5-7-19;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;1-12-3-5-15(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;2-1-3;/h3-16H,1-2H3,(H,29,30);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);3-10,27H,11H2,1-2H3,(H,25,26);;1H4.

What are the key properties of carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane?

carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane has a molecular weight of 2105.67 g/mol, XLogP of 33.04, 20 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;[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;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;2-(3,4-dimethylphenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole;methane is sourced from PubChem (CID 159300507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).