methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

C162H136F12N20O21 — CID 159099869

IUPACmethyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(Cc2c(F)cc(-c3cccnc3OCc3ccccc3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2c(F)cc(-c3cncnc3OCc3ccc(C#N)cc3F)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2C(F)(F)F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2CF)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2COC)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C34H31FN4O5.C33H26F4N4O4.C33H28F2N4O4.C31H24F3N5O4.C31H27F2N3O4/c1-41-14-13-39-31-17-25(34(40)43-3)11-12-30(31)37-32(39)18-23-9-10-24(16-27(23)20-42-2)29-5-4-6-33(38-29)44-21-26-8-7-22(19-36)15-28(26)35;1-43-13-12-41-29-16-23(32(42)44-2)10-11-28(29)39-30(41)17-21-8-9-22(15-25(21)33(35,36)37)27-4-3-5-31(40-27)45-19-24-7-6-20(18-38)14-26(24)34;1-41-13-12-39-30-16-24(33(40)42-2)10-11-29(30)37-31(39)17-22-8-9-23(15-26(22)18-34)28-4-3-5-32(38-28)43-20-25-7-6-21(19-36)14-27(25)35;1-41-8-7-39-28-12-19(31(40)42-2)5-6-27(28)38-29(39)13-22-25(33)10-21(11-26(22)34)23-15-36-17-37-30(23)43-16-20-4-3-18(14-35)9-24(20)32;1-38-14-13-36-28-17-21(31(37)39-2)10-11-27(28)35-29(36)18-24-25(32)15-22(16-26(24)33)23-9-6-12-34-30(23)40-19-20-7-4-3-5-8-20/h4-12,15-17H,13-14,18,20-21H2,1-3H3;3-11,14-16H,12-13,17,19H2,1-2H3;3-11,14-16H,12-13,17-18,20H2,1-2H3;3-6,9-12,15,17H,7-8,13,16H2,1-2H3;3-12,15-17H,13-14,18-19H2,1-2H3
InChIKeyKDDJOUZULKKKOV-UHFFFAOYSA-N
MW2926.96 g/mol
LogP30.13
Rot. Bonds53

About methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 159099869) has the molecular formula C162H136F12N20O21 and a molecular weight of 2926.96 g/mol. Its IUPAC name is methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
PubChem CID159099869
Molecular FormulaC162H136F12N20O21
Molecular Weight2926.96 g/mol
Exact Mass2925.00
IUPAC Namemethyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(Cc2c(F)cc(-c3cccnc3OCc3ccccc3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2c(F)cc(-c3cncnc3OCc3ccc(C#N)cc3F)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2C(F)(F)F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2CF)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2COC)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C34H31FN4O5.C33H26F4N4O4.C33H28F2N4O4.C31H24F3N5O4.C31H27F2N3O4/c1-41-14-13-39-31-17-25(34(40)43-3)11-12-30(31)37-32(39)18-23-9-10-24(16-27(23)20-42-2)29-5-4-6-33(38-29)44-21-26-8-7-22(19-36)15-28(26)35;1-43-13-12-41-29-16-23(32(42)44-2)10-11-28(29)39-30(41)17-21-8-9-22(15-25(21)33(35,36)37)27-4-3-5-31(40-27)45-19-24-7-6-20(18-38)14-26(24)34;1-41-13-12-39-30-16-24(33(40)42-2)10-11-29(30)37-31(39)17-22-8-9-23(15-26(22)18-34)28-4-3-5-32(38-28)43-20-25-7-6-21(19-36)14-27(25)35;1-41-8-7-39-28-12-19(31(40)42-2)5-6-27(28)38-29(39)13-22-25(33)10-21(11-26(22)34)23-15-36-17-37-30(23)43-16-20-4-3-18(14-35)9-24(20)32;1-38-14-13-36-28-17-21(31(37)39-2)10-11-27(28)35-29(36)18-24-25(32)15-22(16-26(24)33)23-9-6-12-34-30(23)40-19-20-7-4-3-5-8-20/h4-12,15-17H,13-14,18,20-21H2,1-3H3;3-11,14-16H,12-13,17,19H2,1-2H3;3-11,14-16H,12-13,17-18,20H2,1-2H3;3-6,9-12,15,17H,7-8,13,16H2,1-2H3;3-12,15-17H,13-14,18-19H2,1-2H3
InChIKeyKDDJOUZULKKKOV-UHFFFAOYSA-N
XLogP30.13
TPSA494.63 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds53
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002926.96
LogP ≤ 530.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 156047842
Methyl 2-[[5-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluoro-2-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156295830
Methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-phenylphenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156295862
Methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156295867
2-[[2-Fluoro-4-[6-[[2-fluoro-4-(2-pyrimidin-5-ylethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 156306463
2-[[4-[6-[(2-Fluoro-4-methylphenyl)methoxy]-2-pyridinyl]-2-pyridin-4-ylphenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 156306497
2-[[5-[6-[(4-Cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluoro-2-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 156306499
2-[[4-[6-[(2-Fluoro-4-methylphenyl)methoxy]-2-pyridinyl]-2-pyridin-3-ylphenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 156306508
2-[[5-[6-[(4-Cyano-2-fluorophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 156306809
Methyl 2-[[5-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156307358
Methyl 2-[[5-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156307397
Methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156307445

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 159099869) is methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is COCCn1c(Cc2c(F)cc(-c3cccnc3OCc3ccccc3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2c(F)cc(-c3cncnc3OCc3ccc(C#N)cc3F)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2C(F)(F)F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2CF)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2COC)nc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The InChIKey is KDDJOUZULKKKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN4O5.C33H26F4N4O4.C33H28F2N4O4.C31H24F3N5O4.C31H27F2N3O4/c1-41-14-13-39-31-17-25(34(40)43-3)11-12-30(31)37-32(39)18-23-9-10-24(16-27(23)20-42-2)29-5-4-6-33(38-29)44-21-26-8-7-22(19-36)15-28(26)35;1-43-13-12-41-29-16-23(32(42)44-2)10-11-28(29)39-30(41)17-21-8-9-22(15-25(21)33(35,36)37)27-4-3-5-31(40-27)45-19-24-7-6-20(18-38)14-26(24)34;1-41-13-12-39-30-16-24(33(40)42-2)10-11-29(30)37-31(39)17-22-8-9-23(15-26(22)18-34)28-4-3-5-32(38-28)43-20-25-7-6-21(19-36)14-27(25)35;1-41-8-7-39-28-12-19(31(40)42-2)5-6-27(28)38-29(39)13-22-25(33)10-21(11-26(22)34)23-15-36-17-37-30(23)43-16-20-4-3-18(14-35)9-24(20)32;1-38-14-13-36-28-17-21(31(37)39-2)10-11-27(28)35-29(36)18-24-25(32)15-22(16-26(24)33)23-9-6-12-34-30(23)40-19-20-7-4-3-5-8-20/h4-12,15-17H,13-14,18,20-21H2,1-3H3;3-11,14-16H,12-13,17,19H2,1-2H3;3-11,14-16H,12-13,17-18,20H2,1-2H3;3-6,9-12,15,17H,7-8,13,16H2,1-2H3;3-12,15-17H,13-14,18-19H2,1-2H3.
What are the key properties of methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 2926.96 g/mol, XLogP of 30.13, 53 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 159099869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).