4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole

C115H108Cl5N45O11 — CID 158790803

IUPAC4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole
SMILESCCOc1ccnc(COc2nc3ccccc3n2-c2nnnn2C)c1.COCc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1.Cn1nnnc1-n1c(OCc2cc(N3CCOCC3)ccn2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(CO)n2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(NCCOc3ccccc3)n2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(NCCc3ccccc3)n2)nc2c(Cl)cccc21
InChIInChI=1S/C23H21ClN8O2.C23H21ClN8O.C19H19ClN8O2.C17H16ClN7O2.C17H17N7O2.C16H14ClN7O2/c1-31-22(28-29-30-31)32-19-11-6-10-18(24)21(19)27-23(32)34-15-16-7-5-12-20(26-16)25-13-14-33-17-8-3-2-4-9-17;1-31-22(28-29-30-31)32-19-11-6-10-18(24)21(19)27-23(32)33-15-17-9-5-12-20(26-17)25-14-13-16-7-3-2-4-8-16;1-26-18(23-24-25-26)28-16-4-2-3-15(20)17(16)22-19(28)30-12-13-11-14(5-6-21-13)27-7-9-29-10-8-27;1-24-16(21-22-23-24)25-14-8-4-7-13(18)15(14)20-17(25)27-10-12-6-3-5-11(19-12)9-26-2;1-3-25-13-8-9-18-12(10-13)11-26-17-19-14-6-4-5-7-15(14)24(17)16-20-21-22-23(16)2;1-23-15(20-21-22-23)24-13-7-3-6-12(17)14(13)19-16(24)26-9-11-5-2-4-10(8-25)18-11/h2-12H,13-15H2,1H3,(H,25,26);2-12H,13-15H2,1H3,(H,25,26);2-6,11H,7-10,12H2,1H3;3-8H,9-10H2,1-2H3;4-10H,3,11H2,1-2H3;2-7,25H,8-9H2,1H3
InChIKeyISGFAWYWGKFHIF-UHFFFAOYSA-N
MW2473.70 g/mol
LogP15.42
Rot. Bonds39

About 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole

4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole (PubChem CID 158790803) has the molecular formula C115H108Cl5N45O11 and a molecular weight of 2473.70 g/mol. Its IUPAC name is 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole
PubChem CID158790803
Molecular FormulaC115H108Cl5N45O11
Molecular Weight2473.70 g/mol
Exact Mass2469.77
IUPAC Name4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole
SMILESCCOc1ccnc(COc2nc3ccccc3n2-c2nnnn2C)c1.COCc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1.Cn1nnnc1-n1c(OCc2cc(N3CCOCC3)ccn2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(CO)n2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(NCCOc3ccccc3)n2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(NCCc3ccccc3)n2)nc2c(Cl)cccc21
InChIInChI=1S/C23H21ClN8O2.C23H21ClN8O.C19H19ClN8O2.C17H16ClN7O2.C17H17N7O2.C16H14ClN7O2/c1-31-22(28-29-30-31)32-19-11-6-10-18(24)21(19)27-23(32)34-15-16-7-5-12-20(26-16)25-13-14-33-17-8-3-2-4-9-17;1-31-22(28-29-30-31)32-19-11-6-10-18(24)21(19)27-23(32)33-15-17-9-5-12-20(26-17)25-14-13-16-7-3-2-4-8-16;1-26-18(23-24-25-26)28-16-4-2-3-15(20)17(16)22-19(28)30-12-13-11-14(5-6-21-13)27-7-9-29-10-8-27;1-24-16(21-22-23-24)25-14-8-4-7-13(18)15(14)20-17(25)27-10-12-6-3-5-11(19-12)9-26-2;1-3-25-13-8-9-18-12(10-13)11-26-17-19-14-6-4-5-7-15(14)24(17)16-20-21-22-23(16)2;1-23-15(20-21-22-23)24-13-7-3-6-12(17)14(13)19-16(24)26-9-11-5-2-4-10(8-25)18-11/h2-12H,13-15H2,1H3,(H,25,26);2-12H,13-15H2,1H3,(H,25,26);2-6,11H,7-10,12H2,1H3;3-8H,9-10H2,1-2H3;4-10H,3,11H2,1-2H3;2-7,25H,8-9H2,1H3
InChIKeyISGFAWYWGKFHIF-UHFFFAOYSA-N
XLogP15.42
TPSA585.69 Ų
H-Bond Donors3
H-Bond Acceptors56
Rotatable Bonds39
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002473.70
LogP ≤ 515.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole with MolForge

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

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Related Compounds

6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;[6-fluoro-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 159204752
6-[[1-(5-Chloropyrimidin-4-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine;1-(5-chloropyrimidin-4-yl)-2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methoxy]benzimidazole;2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[(4-methoxy-3-methyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[(4-methyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]benzimidazole
CID 160050793
4-chloro-2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;4-chloro-2-[(4-methoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;4-chloro-2-[[3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(4-methylpentyl)pyridin-2-amine;1-methyl-2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]benzimidazole;2-[(6-methylsulfonyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole
CID 160324625
5-[6-[[3-(5-chloropyrimidin-4-yl)-5-[3-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]phenyl]-1H-indol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole
CID 142560456
3-[2-(2-Chloro-4-pyridinyl)-4-pyridinyl]-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;7-[4-(2-methylpropoxy)phenyl]-3-phenylimidazo[1,2-a]pyridine;4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenol;4-[2-[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenoxy]ethyl]morpholine;7-(4-propan-2-yloxyphenyl)-3-pyrimidin-5-ylimidazo[1,2-a]pyridine
CID 157377368
N-(2-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-chloro-7-(6-piperazin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-(2-phenylethyl)pyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol
CID 157486591
7-[4-[1-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-(2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline
CID 157691878
2-Chloro-9-(oxan-4-yl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(oxan-4-yl)purine;methane;bis(3-[2-morpholin-4-yl-9-(oxan-4-yl)purin-6-yl]phenol);4-[9-(oxan-4-yl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;hydrochloride
CID 157759574
6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine;2-[(5-methoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[(6-methoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[[6-(3-methylbutoxy)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;N-(4-methylpentyl)-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine;2-[(4-methylsulfanyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;2-[(6-methylsulfanyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole
CID 157792998
3-(bromomethyl)pyridine;2-chloro-6-(3-phenylmethoxyphenyl)-9-(pyridin-3-ylmethyl)purine;2,6-dichloro-7H-purine;2,6-dichloro-9-(pyridin-3-ylmethyl)purine;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol;4-[6-(3-phenylmethoxyphenyl)-9-(pyridin-3-ylmethyl)purin-2-yl]morpholine;hydrochloride
CID 158029037
5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-[[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-[[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-amine
CID 158409344
1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine
CID 158447542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole?
The IUPAC name of 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole (CID 158790803) is 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole.
What is the SMILES notation for 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole?
The canonical SMILES for 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole is CCOc1ccnc(COc2nc3ccccc3n2-c2nnnn2C)c1.COCc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1.Cn1nnnc1-n1c(OCc2cc(N3CCOCC3)ccn2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(CO)n2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(NCCOc3ccccc3)n2)nc2c(Cl)cccc21.Cn1nnnc1-n1c(OCc2cccc(NCCc3ccccc3)n2)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole?
The InChIKey is ISGFAWYWGKFHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN8O2.C23H21ClN8O.C19H19ClN8O2.C17H16ClN7O2.C17H17N7O2.C16H14ClN7O2/c1-31-22(28-29-30-31)32-19-11-6-10-18(24)21(19)27-23(32)34-15-16-7-5-12-20(26-16)25-13-14-33-17-8-3-2-4-9-17;1-31-22(28-29-30-31)32-19-11-6-10-18(24)21(19)27-23(32)33-15-17-9-5-12-20(26-17)25-14-13-16-7-3-2-4-8-16;1-26-18(23-24-25-26)28-16-4-2-3-15(20)17(16)22-19(28)30-12-13-11-14(5-6-21-13)27-7-9-29-10-8-27;1-24-16(21-22-23-24)25-14-8-4-7-13(18)15(14)20-17(25)27-10-12-6-3-5-11(19-12)9-26-2;1-3-25-13-8-9-18-12(10-13)11-26-17-19-14-6-4-5-7-15(14)24(17)16-20-21-22-23(16)2;1-23-15(20-21-22-23)24-13-7-3-6-12(17)14(13)19-16(24)26-9-11-5-2-4-10(8-25)18-11/h2-12H,13-15H2,1H3,(H,25,26);2-12H,13-15H2,1H3,(H,25,26);2-6,11H,7-10,12H2,1H3;3-8H,9-10H2,1-2H3;4-10H,3,11H2,1-2H3;2-7,25H,8-9H2,1H3.
What are the key properties of 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole?
4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole has a molecular weight of 2473.70 g/mol, XLogP of 15.42, 39 rotatable bonds, 3 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenoxyethyl)pyridin-2-amine;6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(2-phenylethyl)pyridin-2-amine;[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]methanol;4-[2-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-4-pyridinyl]morpholine;2-[(4-ethoxy-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole is sourced from PubChem (CID 158790803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).