(3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole

C154H165Br5Cl5FN16O5 — CID 160686600

IUPAC(3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCCCN1C(c2cccc(Cl)c2CCc2cc(Br)ccc2OC)=NC2CCCC[C@@H]21.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCC2CCCCN12.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1CC(C)C#N.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1CCC#N.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NC[C@@H]2CCCN12.Cc1ccc2ccccc2c1CCc1ccccc1C1=N[C@@H]2CCCC[C@H]2N1.Fc1cccc(C2=NCCN2)c1CCc1ccccc1
InChIInChI=1S/C26H28N2.C25H30BrClN2O.C22H23BrClN3O.C22H24BrClN2O.C21H21BrClN3O.C21H22BrClN2O.C17H17FN2/c1-18-14-15-19-8-2-4-10-22(19)21(18)17-16-20-9-3-5-11-23(20)26-27-24-12-6-7-13-25(24)28-26;1-3-15-29-23-10-5-4-9-22(23)28-25(29)20-7-6-8-21(27)19(20)13-11-17-16-18(26)12-14-24(17)30-2;1-15(13-25)14-27-11-10-26-22(27)19-4-3-5-20(24)18(19)8-6-16-12-17(23)7-9-21(16)28-2;1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22;1-27-20-9-7-16(22)14-15(20)6-8-17-18(4-2-5-19(17)23)21-25-11-13-26(21)12-3-10-24;1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21;18-16-8-4-7-15(17-19-11-12-20-17)14(16)10-9-13-5-2-1-3-6-13/h2-5,8-11,14-15,24-25H,6-7,12-13,16-17H2,1H3,(H,27,28);6-8,12,14,16,22-23H,3-5,9-11,13,15H2,1-2H3;3-5,7,9,12,15H,6,8,10-11,14H2,1-2H3;4,6-7,9,11,13,17H,2-3,5,8,10,12,14H2,1H3;2,4-5,7,9,14H,3,6,8,11-13H2,1H3;2,5-6,8,10,12,16H,3-4,7,9,11,13H2,1H3;1-8H,9-12H2,(H,19,20)/t24-,25-;22?,23-;;;;16-;/m10...0./s1
InChIKeyROVOXTKRHRRXFE-OXAPZJHMSA-N
MW2915.90 g/mol
LogP35.86
Rot. Bonds39

About (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole

(3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 160686600) has the molecular formula C154H165Br5Cl5FN16O5 and a molecular weight of 2915.90 g/mol. Its IUPAC name is (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID160686600
Molecular FormulaC154H165Br5Cl5FN16O5
Molecular Weight2915.90 g/mol
Exact Mass2906.75
IUPAC Name(3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCCCN1C(c2cccc(Cl)c2CCc2cc(Br)ccc2OC)=NC2CCCC[C@@H]21.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCC2CCCCN12.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1CC(C)C#N.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1CCC#N.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NC[C@@H]2CCCN12.Cc1ccc2ccccc2c1CCc1ccccc1C1=N[C@@H]2CCCC[C@H]2N1.Fc1cccc(C2=NCCN2)c1CCc1ccccc1
InChIInChI=1S/C26H28N2.C25H30BrClN2O.C22H23BrClN3O.C22H24BrClN2O.C21H21BrClN3O.C21H22BrClN2O.C17H17FN2/c1-18-14-15-19-8-2-4-10-22(19)21(18)17-16-20-9-3-5-11-23(20)26-27-24-12-6-7-13-25(24)28-26;1-3-15-29-23-10-5-4-9-22(23)28-25(29)20-7-6-8-21(27)19(20)13-11-17-16-18(26)12-14-24(17)30-2;1-15(13-25)14-27-11-10-26-22(27)19-4-3-5-20(24)18(19)8-6-16-12-17(23)7-9-21(16)28-2;1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22;1-27-20-9-7-16(22)14-15(20)6-8-17-18(4-2-5-19(17)23)21-25-11-13-26(21)12-3-10-24;1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21;18-16-8-4-7-15(17-19-11-12-20-17)14(16)10-9-13-5-2-1-3-6-13/h2-5,8-11,14-15,24-25H,6-7,12-13,16-17H2,1H3,(H,27,28);6-8,12,14,16,22-23H,3-5,9-11,13,15H2,1-2H3;3-5,7,9,12,15H,6,8,10-11,14H2,1-2H3;4,6-7,9,11,13,17H,2-3,5,8,10,12,14H2,1H3;2,4-5,7,9,14H,3,6,8,11-13H2,1H3;2,5-6,8,10,12,16H,3-4,7,9,11,13H2,1H3;1-8H,9-12H2,(H,19,20)/t24-,25-;22?,23-;;;;16-;/m10...0./s1
InChIKeyROVOXTKRHRRXFE-OXAPZJHMSA-N
XLogP35.86
TPSA220.51 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds39
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002915.90
LogP ≤ 535.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole (CID 160686600) is (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole is CCCN1C(c2cccc(Cl)c2CCc2cc(Br)ccc2OC)=NC2CCCC[C@@H]21.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCC2CCCCN12.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1CC(C)C#N.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1CCC#N.COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NC[C@@H]2CCCN12.Cc1ccc2ccccc2c1CCc1ccccc1C1=N[C@@H]2CCCC[C@H]2N1.Fc1cccc(C2=NCCN2)c1CCc1ccccc1.
What is the InChIKey of (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is ROVOXTKRHRRXFE-OXAPZJHMSA-N. The full InChI is InChI=1S/C26H28N2.C25H30BrClN2O.C22H23BrClN3O.C22H24BrClN2O.C21H21BrClN3O.C21H22BrClN2O.C17H17FN2/c1-18-14-15-19-8-2-4-10-22(19)21(18)17-16-20-9-3-5-11-23(20)26-27-24-12-6-7-13-25(24)28-26;1-3-15-29-23-10-5-4-9-22(23)28-25(29)20-7-6-8-21(27)19(20)13-11-17-16-18(26)12-14-24(17)30-2;1-15(13-25)14-27-11-10-26-22(27)19-4-3-5-20(24)18(19)8-6-16-12-17(23)7-9-21(16)28-2;1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22;1-27-20-9-7-16(22)14-15(20)6-8-17-18(4-2-5-19(17)23)21-25-11-13-26(21)12-3-10-24;1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21;18-16-8-4-7-15(17-19-11-12-20-17)14(16)10-9-13-5-2-1-3-6-13/h2-5,8-11,14-15,24-25H,6-7,12-13,16-17H2,1H3,(H,27,28);6-8,12,14,16,22-23H,3-5,9-11,13,15H2,1-2H3;3-5,7,9,12,15H,6,8,10-11,14H2,1-2H3;4,6-7,9,11,13,17H,2-3,5,8,10,12,14H2,1H3;2,4-5,7,9,14H,3,6,8,11-13H2,1H3;2,5-6,8,10,12,16H,3-4,7,9,11,13H2,1H3;1-8H,9-12H2,(H,19,20)/t24-,25-;22?,23-;;;;16-;/m10...0./s1.
What are the key properties of (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole?
(3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 2915.90 g/mol, XLogP of 35.86, 39 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;(7aS)-3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;(7aS)-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-propyl-3a,4,5,6,7,7a-hexahydrobenzimidazole;3-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]-2-methylpropanenitrile;3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]propanenitrile;2-[3-fluoro-2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 160686600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).