2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane

C226H183Cl3F8N32O16 — CID 157258417

IUPAC2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane
SMILESC.C=C(NC1CC2CCC1C2)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C31H29FN4O2.C29H27FN4O.C28H21FN4O3.C28H21FN4O2.C28H27FN4O2.C27H17Cl2FN4O2.C27H18ClFN4O2.C27H19FN4O2.CH4/c32-24-6-8-25(9-7-24)33-31(38)21-5-10-26-27(16-21)35-29(34-26)19-1-3-20(4-2-19)30(37)36-28-22-12-17-11-18(14-22)15-23(28)13-17;1-17(31-26-15-18-2-3-21(26)14-18)19-4-6-20(7-5-19)28-33-25-13-8-22(16-27(25)34-28)29(35)32-24-11-9-23(30)10-12-24;1-36-23-13-11-22(12-14-23)30-27(34)18-4-2-17(3-5-18)26-32-24-15-6-19(16-25(24)33-26)28(35)31-21-9-7-20(29)8-10-21;1-17-2-11-22(12-3-17)30-27(34)19-6-4-18(5-7-19)26-32-24-15-8-20(16-25(24)33-26)28(35)31-23-13-9-21(29)10-14-23;1-17-4-2-3-5-23(17)33-27(34)19-8-6-18(7-9-19)26-31-24-15-10-20(16-25(24)32-26)28(35)30-22-13-11-21(29)12-14-22;28-21-11-10-20(14-22(21)29)32-26(35)16-3-1-15(2-4-16)25-33-23-12-5-17(13-24(23)34-25)27(36)31-19-8-6-18(30)7-9-19;28-19-6-10-21(11-7-19)30-26(34)17-3-1-16(2-4-17)25-32-23-14-5-18(15-24(23)33-25)27(35)31-22-12-8-20(29)9-13-22;28-20-11-13-22(14-12-20)30-27(34)19-10-15-23-24(16-19)32-25(31-23)17-6-8-18(9-7-17)26(33)29-21-4-2-1-3-5-21;/h1-10,16-18,22-23,28H,11-15H2,(H,33,38)(H,34,35)(H,36,37);4-13,16,18,21,26,31H,1-3,14-15H2,(H,32,35)(H,33,34);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);6-17,23H,2-5H2,1H3,(H,30,35)(H,31,32)(H,33,34);1-14H,(H,31,36)(H,32,35)(H,33,34);1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);1H4
InChIKeyAXDXJSITTJDRIW-UHFFFAOYSA-N
MW3861.50 g/mol
LogP50.76
Rot. Bonds42

About 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane

2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane (PubChem CID 157258417) has the molecular formula C226H183Cl3F8N32O16 and a molecular weight of 3861.50 g/mol. Its IUPAC name is 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane.

Molecular Properties

Compound Name2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane
PubChem CID157258417
Molecular FormulaC226H183Cl3F8N32O16
Molecular Weight3861.50 g/mol
Exact Mass3857.34
IUPAC Name2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane
SMILESC.C=C(NC1CC2CCC1C2)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C31H29FN4O2.C29H27FN4O.C28H21FN4O3.C28H21FN4O2.C28H27FN4O2.C27H17Cl2FN4O2.C27H18ClFN4O2.C27H19FN4O2.CH4/c32-24-6-8-25(9-7-24)33-31(38)21-5-10-26-27(16-21)35-29(34-26)19-1-3-20(4-2-19)30(37)36-28-22-12-17-11-18(14-22)15-23(28)13-17;1-17(31-26-15-18-2-3-21(26)14-18)19-4-6-20(7-5-19)28-33-25-13-8-22(16-27(25)34-28)29(35)32-24-11-9-23(30)10-12-24;1-36-23-13-11-22(12-14-23)30-27(34)18-4-2-17(3-5-18)26-32-24-15-6-19(16-25(24)33-26)28(35)31-21-9-7-20(29)8-10-21;1-17-2-11-22(12-3-17)30-27(34)19-6-4-18(5-7-19)26-32-24-15-8-20(16-25(24)33-26)28(35)31-23-13-9-21(29)10-14-23;1-17-4-2-3-5-23(17)33-27(34)19-8-6-18(7-9-19)26-31-24-15-10-20(16-25(24)32-26)28(35)30-22-13-11-21(29)12-14-22;28-21-11-10-20(14-22(21)29)32-26(35)16-3-1-15(2-4-16)25-33-23-12-5-17(13-24(23)34-25)27(36)31-19-8-6-18(30)7-9-19;28-19-6-10-21(11-7-19)30-26(34)17-3-1-16(2-4-17)25-32-23-14-5-18(15-24(23)33-25)27(35)31-22-12-8-20(29)9-13-22;28-20-11-13-22(14-12-20)30-27(34)19-10-15-23-24(16-19)32-25(31-23)17-6-8-18(9-7-17)26(33)29-21-4-2-1-3-5-21;/h1-10,16-18,22-23,28H,11-15H2,(H,33,38)(H,34,35)(H,36,37);4-13,16,18,21,26,31H,1-3,14-15H2,(H,32,35)(H,33,34);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);6-17,23H,2-5H2,1H3,(H,30,35)(H,31,32)(H,33,34);1-14H,(H,31,36)(H,32,35)(H,33,34);1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);1H4
InChIKeyAXDXJSITTJDRIW-UHFFFAOYSA-N
XLogP50.76
TPSA687.20 Ų
H-Bond Donors24
H-Bond Acceptors25
Rotatable Bonds42
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003861.50
LogP ≤ 550.76
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1025

Analyze 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane?
The IUPAC name of 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane (CID 157258417) is 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane.
What is the SMILES notation for 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane?
The canonical SMILES for 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane is C.C=C(NC1CC2CCC1C2)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane?
The InChIKey is AXDXJSITTJDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O2.C29H27FN4O.C28H21FN4O3.C28H21FN4O2.C28H27FN4O2.C27H17Cl2FN4O2.C27H18ClFN4O2.C27H19FN4O2.CH4/c32-24-6-8-25(9-7-24)33-31(38)21-5-10-26-27(16-21)35-29(34-26)19-1-3-20(4-2-19)30(37)36-28-22-12-17-11-18(14-22)15-23(28)13-17;1-17(31-26-15-18-2-3-21(26)14-18)19-4-6-20(7-5-19)28-33-25-13-8-22(16-27(25)34-28)29(35)32-24-11-9-23(30)10-12-24;1-36-23-13-11-22(12-14-23)30-27(34)18-4-2-17(3-5-18)26-32-24-15-6-19(16-25(24)33-26)28(35)31-21-9-7-20(29)8-10-21;1-17-2-11-22(12-3-17)30-27(34)19-6-4-18(5-7-19)26-32-24-15-8-20(16-25(24)33-26)28(35)31-23-13-9-21(29)10-14-23;1-17-4-2-3-5-23(17)33-27(34)19-8-6-18(7-9-19)26-31-24-15-10-20(16-25(24)32-26)28(35)30-22-13-11-21(29)12-14-22;28-21-11-10-20(14-22(21)29)32-26(35)16-3-1-15(2-4-16)25-33-23-12-5-17(13-24(23)34-25)27(36)31-19-8-6-18(30)7-9-19;28-19-6-10-21(11-7-19)30-26(34)17-3-1-16(2-4-17)25-32-23-14-5-18(15-24(23)33-25)27(35)31-22-12-8-20(29)9-13-22;28-20-11-13-22(14-12-20)30-27(34)19-10-15-23-24(16-19)32-25(31-23)17-6-8-18(9-7-17)26(33)29-21-4-2-1-3-5-21;/h1-10,16-18,22-23,28H,11-15H2,(H,33,38)(H,34,35)(H,36,37);4-13,16,18,21,26,31H,1-3,14-15H2,(H,32,35)(H,33,34);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);6-17,23H,2-5H2,1H3,(H,30,35)(H,31,32)(H,33,34);1-14H,(H,31,36)(H,32,35)(H,33,34);1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);1H4.
What are the key properties of 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane?
2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane has a molecular weight of 3861.50 g/mol, XLogP of 50.76, 42 rotatable bonds, 24 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[1-(2-bicyclo[2.2.1]heptanylamino)ethenyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;methane is sourced from PubChem (CID 157258417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).