2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid

C149H115ClF15N19O20S2 — CID 158997461

IUPAC2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCOCCn1c(Cc2cc(F)c(-c3cccc(OCc4cc(C#N)cs4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C#N)s4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C)cn4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(Cl)c(F)c4F)n3)cc2F)nc2ccc(C(=O)O)cc21.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4ccnc(OCc5ccc(C(F)F)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1
InChIInChI=1S/C31H23F5N4O4.C30H22ClF4N3O4.C30H26F2N4O4.2C29H22F2N4O4S/c32-22-9-16(29(35)36)1-2-18(22)15-44-31-37-7-5-25(39-31)21-13-23(33)19(10-24(21)34)12-28-38-26-4-3-17(30(41)42)11-27(26)40(28)14-20-6-8-43-20;1-41-10-9-38-25-12-16(30(39)40)6-8-24(25)36-26(38)13-18-11-22(33)19(14-21(18)32)23-3-2-4-27(37-23)42-15-17-5-7-20(31)29(35)28(17)34;1-18-6-8-21(33-16-18)17-40-29-5-3-4-25(35-29)22-15-23(31)20(12-24(22)32)14-28-34-26-9-7-19(30(37)38)13-27(26)36(28)10-11-39-2;1-38-10-9-35-26-12-17(29(36)37)5-8-25(26)33-27(35)13-18-11-23(31)21(14-22(18)30)24-3-2-4-28(34-24)39-16-20-7-6-19(15-32)40-20;1-38-8-7-35-26-11-18(29(36)37)5-6-25(26)33-27(35)12-19-10-23(31)21(13-22(19)30)24-3-2-4-28(34-24)39-15-20-9-17(14-32)16-40-20/h1-5,7,9-11,13,20,29H,6,8,12,14-15H2,(H,41,42);2-8,11-12,14H,9-10,13,15H2,1H3,(H,39,40);3-9,12-13,15-16H,10-11,14,17H2,1-2H3,(H,37,38);2-8,11-12,14H,9-10,13,16H2,1H3,(H,36,37);2-6,9-11,13,16H,7-8,12,15H2,1H3,(H,36,37)/t20-;;;;/m0..../s1
InChIKeyJQXKQRDVTPPPHH-YAVGSXOASA-N
MW2876.23 g/mol
LogP30.57
Rot. Bonds50

About 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid

2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid (PubChem CID 158997461) has the molecular formula C149H115ClF15N19O20S2 and a molecular weight of 2876.23 g/mol. Its IUPAC name is 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
PubChem CID158997461
Molecular FormulaC149H115ClF15N19O20S2
Molecular Weight2876.23 g/mol
Exact Mass2873.75
IUPAC Name2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCOCCn1c(Cc2cc(F)c(-c3cccc(OCc4cc(C#N)cs4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C#N)s4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C)cn4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(Cl)c(F)c4F)n3)cc2F)nc2ccc(C(=O)O)cc21.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4ccnc(OCc5ccc(C(F)F)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1
InChIInChI=1S/C31H23F5N4O4.C30H22ClF4N3O4.C30H26F2N4O4.2C29H22F2N4O4S/c32-22-9-16(29(35)36)1-2-18(22)15-44-31-37-7-5-25(39-31)21-13-23(33)19(10-24(21)34)12-28-38-26-4-3-17(30(41)42)11-27(26)40(28)14-20-6-8-43-20;1-41-10-9-38-25-12-16(30(39)40)6-8-24(25)36-26(38)13-18-11-22(33)19(14-21(18)32)23-3-2-4-27(37-23)42-15-17-5-7-20(31)29(35)28(17)34;1-18-6-8-21(33-16-18)17-40-29-5-3-4-25(35-29)22-15-23(31)20(12-24(22)32)14-28-34-26-9-7-19(30(37)38)13-27(26)36(28)10-11-39-2;1-38-10-9-35-26-12-17(29(36)37)5-8-25(26)33-27(35)13-18-11-23(31)21(14-22(18)30)24-3-2-4-28(34-24)39-16-20-7-6-19(15-32)40-20;1-38-8-7-35-26-11-18(29(36)37)5-6-25(26)33-27(35)12-19-10-23(31)21(13-22(19)30)24-3-2-4-28(34-24)39-15-20-9-17(14-32)16-40-20/h1-5,7,9-11,13,20,29H,6,8,12,14-15H2,(H,41,42);2-8,11-12,14H,9-10,13,15H2,1H3,(H,39,40);3-9,12-13,15-16H,10-11,14,17H2,1-2H3,(H,37,38);2-8,11-12,14H,9-10,13,16H2,1H3,(H,36,37);2-6,9-11,13,16H,7-8,12,15H2,1H3,(H,36,37)/t20-;;;;/m0..../s1
InChIKeyJQXKQRDVTPPPHH-YAVGSXOASA-N
XLogP30.57
TPSA505.71 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds50
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002876.23
LogP ≤ 530.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid (CID 158997461) is 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid is COCCn1c(Cc2cc(F)c(-c3cccc(OCc4cc(C#N)cs4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C#N)s4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C)cn4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(Cl)c(F)c4F)n3)cc2F)nc2ccc(C(=O)O)cc21.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4ccnc(OCc5ccc(C(F)F)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1.
What is the InChIKey of 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The InChIKey is JQXKQRDVTPPPHH-YAVGSXOASA-N. The full InChI is InChI=1S/C31H23F5N4O4.C30H22ClF4N3O4.C30H26F2N4O4.2C29H22F2N4O4S/c32-22-9-16(29(35)36)1-2-18(22)15-44-31-37-7-5-25(39-31)21-13-23(33)19(10-24(21)34)12-28-38-26-4-3-17(30(41)42)11-27(26)40(28)14-20-6-8-43-20;1-41-10-9-38-25-12-16(30(39)40)6-8-24(25)36-26(38)13-18-11-22(33)19(14-21(18)32)23-3-2-4-27(37-23)42-15-17-5-7-20(31)29(35)28(17)34;1-18-6-8-21(33-16-18)17-40-29-5-3-4-25(35-29)22-15-23(31)20(12-24(22)32)14-28-34-26-9-7-19(30(37)38)13-27(26)36(28)10-11-39-2;1-38-10-9-35-26-12-17(29(36)37)5-8-25(26)33-27(35)13-18-11-23(31)21(14-22(18)30)24-3-2-4-28(34-24)39-16-20-7-6-19(15-32)40-20;1-38-8-7-35-26-11-18(29(36)37)5-6-25(26)33-27(35)12-19-10-23(31)21(13-22(19)30)24-3-2-4-28(34-24)39-15-20-9-17(14-32)16-40-20/h1-5,7,9-11,13,20,29H,6,8,12,14-15H2,(H,41,42);2-8,11-12,14H,9-10,13,15H2,1H3,(H,39,40);3-9,12-13,15-16H,10-11,14,17H2,1-2H3,(H,37,38);2-8,11-12,14H,9-10,13,16H2,1H3,(H,36,37);2-6,9-11,13,16H,7-8,12,15H2,1H3,(H,36,37)/t20-;;;;/m0..../s1.
What are the key properties of 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid has a molecular weight of 2876.23 g/mol, XLogP of 30.57, 50 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[(4-chloro-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(5-cyanothiophen-2-yl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[2-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]pyrimidin-4-yl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 158997461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).