methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate

C163H125F16N21O20 — CID 159306435

IUPACmethyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc(F)c2nc(Cc3ccc(-c4ccnc(OCc5ccc(C#N)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C#N)cc5)n4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C(F)(F)F)cc5)n4)cc3F)n(C[C@@H]3CCO3)c2c1.COCCn1c(Cc2c(F)cc(-c3cccc(OCc4ccc(C#N)cc4F)n3)c(F)c2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2c(F)cc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2C#N)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C33H26F5N3O4.C33H25F2N5O4.C33H26F2N4O4.C32H24F4N4O4.C32H24F3N5O4/c1-43-32(42)20-7-10-28-29(14-20)41(17-23-11-12-44-23)30(39-28)15-21-13-26(35)24(16-25(21)34)27-3-2-4-31(40-27)45-18-19-5-8-22(9-6-19)33(36,37)38;1-42-11-10-40-30-15-21(33(41)43-2)8-9-29(30)38-31(40)16-25-24(18-37)13-23(14-27(25)35)28-4-3-5-32(39-28)44-19-22-7-6-20(17-36)12-26(22)34;1-41-33(40)22-9-10-29-30(14-22)39(18-24-11-12-42-24)31(37-29)15-23-13-27(35)25(16-26(23)34)28-3-2-4-32(38-28)43-19-21-7-5-20(17-36)6-8-21;1-42-11-10-40-27-13-19(32(41)43-2)8-9-26(27)38-28(40)15-21-24(34)14-22(31(36)30(21)35)25-4-3-5-29(39-25)44-17-20-7-6-18(16-37)12-23(20)33;1-42-31(41)21-13-26(35)30-28(14-21)40(16-22-7-9-43-22)29(39-30)12-18-3-5-23(25(34)10-18)27-6-8-37-32(38-27)44-17-20-4-2-19(15-36)11-24(20)33/h2-10,13-14,16,23H,11-12,15,17-18H2,1H3;3-9,12-15H,10-11,16,19H2,1-2H3;2-10,13-14,16,24H,11-12,15,18-19H2,1H3;3-9,12-14H,10-11,15,17H2,1-2H3;2-6,8,10-11,13-14,22H,7,9,12,16-17H2,1H3/t23-;;24-;;22-/m0.0.0/s1
InChIKeyLBZAIIIQRCDLEP-ZEKMQDRTSA-N
MW3001.89 g/mol
LogP30.51
Rot. Bonds47

About methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate

methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate (PubChem CID 159306435) has the molecular formula C163H125F16N21O20 and a molecular weight of 3001.89 g/mol. Its IUPAC name is methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
PubChem CID159306435
Molecular FormulaC163H125F16N21O20
Molecular Weight3001.89 g/mol
Exact Mass2999.92
IUPAC Namemethyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc(F)c2nc(Cc3ccc(-c4ccnc(OCc5ccc(C#N)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C#N)cc5)n4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C(F)(F)F)cc5)n4)cc3F)n(C[C@@H]3CCO3)c2c1.COCCn1c(Cc2c(F)cc(-c3cccc(OCc4ccc(C#N)cc4F)n3)c(F)c2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2c(F)cc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2C#N)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C33H26F5N3O4.C33H25F2N5O4.C33H26F2N4O4.C32H24F4N4O4.C32H24F3N5O4/c1-43-32(42)20-7-10-28-29(14-20)41(17-23-11-12-44-23)30(39-28)15-21-13-26(35)24(16-25(21)34)27-3-2-4-31(40-27)45-18-19-5-8-22(9-6-19)33(36,37)38;1-42-11-10-40-30-15-21(33(41)43-2)8-9-29(30)38-31(40)16-25-24(18-37)13-23(14-27(25)35)28-4-3-5-32(39-28)44-19-22-7-6-20(17-36)12-26(22)34;1-41-33(40)22-9-10-29-30(14-22)39(18-24-11-12-42-24)31(37-29)15-23-13-27(35)25(16-26(23)34)28-3-2-4-32(38-28)43-19-21-7-5-20(17-36)6-8-21;1-42-11-10-40-27-13-19(32(41)43-2)8-9-26(27)38-28(40)15-21-24(34)14-22(31(36)30(21)35)25-4-3-5-29(39-25)44-17-20-7-6-18(16-37)12-23(20)33;1-42-31(41)21-13-26(35)30-28(14-21)40(16-22-7-9-43-22)29(39-30)12-18-3-5-23(25(34)10-18)27-6-8-37-32(38-27)44-17-20-4-2-19(15-36)11-24(20)33/h2-10,13-14,16,23H,11-12,15,17-18H2,1H3;3-9,12-15H,10-11,16,19H2,1-2H3;2-10,13-14,16,24H,11-12,15,18-19H2,1H3;3-9,12-14H,10-11,15,17H2,1-2H3;2-6,8,10-11,13-14,22H,7,9,12,16-17H2,1H3/t23-;;24-;;22-/m0.0.0/s1
InChIKeyLBZAIIIQRCDLEP-ZEKMQDRTSA-N
XLogP30.51
TPSA509.19 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds47
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003001.89
LogP ≤ 530.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate (CID 159306435) is methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate is COC(=O)c1cc(F)c2nc(Cc3ccc(-c4ccnc(OCc5ccc(C#N)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C#N)cc5)n4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C(F)(F)F)cc5)n4)cc3F)n(C[C@@H]3CCO3)c2c1.COCCn1c(Cc2c(F)cc(-c3cccc(OCc4ccc(C#N)cc4F)n3)c(F)c2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2c(F)cc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2C#N)nc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate?
The InChIKey is LBZAIIIQRCDLEP-ZEKMQDRTSA-N. The full InChI is InChI=1S/C33H26F5N3O4.C33H25F2N5O4.C33H26F2N4O4.C32H24F4N4O4.C32H24F3N5O4/c1-43-32(42)20-7-10-28-29(14-20)41(17-23-11-12-44-23)30(39-28)15-21-13-26(35)24(16-25(21)34)27-3-2-4-31(40-27)45-18-19-5-8-22(9-6-19)33(36,37)38;1-42-11-10-40-30-15-21(33(41)43-2)8-9-29(30)38-31(40)16-25-24(18-37)13-23(14-27(25)35)28-4-3-5-32(39-28)44-19-22-7-6-20(17-36)12-26(22)34;1-41-33(40)22-9-10-29-30(14-22)39(18-24-11-12-42-24)31(37-29)15-23-13-27(35)25(16-26(23)34)28-3-2-4-32(38-28)43-19-21-7-5-20(17-36)6-8-21;1-42-11-10-40-27-13-19(32(41)43-2)8-9-26(27)38-28(40)15-21-24(34)14-22(31(36)30(21)35)25-4-3-5-29(39-25)44-17-20-7-6-18(16-37)12-23(20)33;1-42-31(41)21-13-26(35)30-28(14-21)40(16-22-7-9-43-22)29(39-30)12-18-3-5-23(25(34)10-18)27-6-8-37-32(38-27)44-17-20-4-2-19(15-36)11-24(20)33/h2-10,13-14,16,23H,11-12,15,17-18H2,1H3;3-9,12-15H,10-11,16,19H2,1-2H3;2-10,13-14,16,24H,11-12,15,18-19H2,1H3;3-9,12-14H,10-11,15,17H2,1-2H3;2-6,8,10-11,13-14,22H,7,9,12,16-17H2,1H3/t23-;;24-;;22-/m0.0.0/s1.
What are the key properties of methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate?
methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate has a molecular weight of 3001.89 g/mol, XLogP of 30.51, 47 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 159306435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).