methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

C162H144ClF9N20O23S — CID 157236150

About methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 157236150) has the molecular formula C162H144ClF9N20O23S and a molecular weight of 2977.55 g/mol. Its IUPAC name is methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
• PubChem CID: 157236150
• Molecular Formula: C162H144ClF9N20O23S
• Molecular Weight: 2977.55 g/mol
• Exact Mass: 2975.00
• IUPAC Name: methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
• SMILES: COCCn1c(Cc2ccc(-c3cccc(OCc4c(F)cc(Cl)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc(OC(F)F)c4F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5c4OCCN5C)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5c4nnn5C)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5ncsc45)n3)cc2F)nc2ccc(C(=O)OC)cc21
• InChI: InChI=1S/C34H33FN4O5.C32H28ClF2N3O5.C32H27F4N3O5.C32H29FN6O4.C32H27FN4O4S/c1-38-14-17-43-33-25(6-4-8-29(33)38)21-44-32-9-5-7-27(37-32)23-11-10-22(26(35)18-23)20-31-36-28-13-12-24(34(40)42-3)19-30(28)39(31)15-16-41-2;1-40-12-11-38-28-14-21(32(39)42-3)9-10-27(28)36-30(38)15-19-7-8-20(13-24(19)34)26-5-4-6-31(37-26)43-18-23-25(35)16-22(33)17-29(23)41-2;1-41-14-13-39-26-16-21(31(40)42-2)11-12-25(26)37-28(39)17-19-9-10-20(15-23(19)33)24-6-4-8-29(38-24)43-18-22-5-3-7-27(30(22)34)44-32(35)36;1-38-27-8-4-6-23(31(27)36-37-38)19-43-30-9-5-7-25(35-30)21-11-10-20(24(33)16-21)18-29-34-26-13-12-22(32(40)42-3)17-28(26)39(29)14-15-41-2;1-39-14-13-37-28-16-22(32(38)40-2)11-12-26(28)35-29(37)17-20-9-10-21(15-24(20)33)25-6-4-8-30(36-25)41-18-23-5-3-7-27-31(23)42-19-34-27/h4-13,18-19H,14-17,20-21H2,1-3H3;4-10,13-14,16-17H,11-12,15,18H2,1-3H3;3-12,15-16,32H,13-14,17-18H2,1-2H3;4-13,16-17H,14-15,18-19H2,1-3H3;3-12,15-16,19H,13-14,17-18H2,1-2H3
• InChIKey: AUQUHXMDVXMDRG-UHFFFAOYSA-N
• XLogP: 30.46
• TPSA: 451.88 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 53
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2977.55
LogP ≤ 5	30.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The IUPAC name of methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 157236150) is methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

What is the SMILES notation for methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The canonical SMILES for methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is COCCn1c(Cc2ccc(-c3cccc(OCc4c(F)cc(Cl)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc(OC(F)F)c4F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5c4OCCN5C)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5c4nnn5C)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5ncsc45)n3)cc2F)nc2ccc(C(=O)OC)cc21.

What is the InChIKey of methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The InChIKey is AUQUHXMDVXMDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN4O5.C32H28ClF2N3O5.C32H27F4N3O5.C32H29FN6O4.C32H27FN4O4S/c1-38-14-17-43-33-25(6-4-8-29(33)38)21-44-32-9-5-7-27(37-32)23-11-10-22(26(35)18-23)20-31-36-28-13-12-24(34(40)42-3)19-30(28)39(31)15-16-41-2;1-40-12-11-38-28-14-21(32(39)42-3)9-10-27(28)36-30(38)15-19-7-8-20(13-24(19)34)26-5-4-6-31(37-26)43-18-23-25(35)16-22(33)17-29(23)41-2;1-41-14-13-39-26-16-21(31(40)42-2)11-12-25(26)37-28(39)17-19-9-10-20(15-23(19)33)24-6-4-8-29(38-24)43-18-22-5-3-7-27(30(22)34)44-32(35)36;1-38-27-8-4-6-23(31(27)36-37-38)19-43-30-9-5-7-25(35-30)21-11-10-20(24(33)16-21)18-29-34-26-13-12-22(32(40)42-3)17-28(26)39(29)14-15-41-2;1-39-14-13-37-28-16-22(32(38)40-2)11-12-26(28)35-29(37)17-20-9-10-21(15-24(20)33)25-6-4-8-30(36-25)41-18-23-5-3-7-27-31(23)42-19-34-27/h4-13,18-19H,14-17,20-21H2,1-3H3;4-10,13-14,16-17H,11-12,15,18H2,1-3H3;3-12,15-16,32H,13-14,17-18H2,1-2H3;4-13,16-17H,14-15,18-19H2,1-3H3;3-12,15-16,19H,13-14,17-18H2,1-2H3.

What are the key properties of methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 2977.55 g/mol, XLogP of 30.46, 53 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[4-[6-(1,3-benzothiazol-7-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluoro-6-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(difluoromethoxy)-2-fluorophenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methylbenzotriazol-4-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 157236150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).