2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide

C231H212Cl3FN32O20 — CID 157081740

IUPAC2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5C6CC7CC(C6)CC5C7)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CCCCC5)cc4)[nH]c3c2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc2nc(-c3ccc(C(=O)NC4CC5CCC4C5)cc3)[nH]c2c1
InChIInChI=1S/2C32H32N4O3.C28H26Cl2N4O2.C28H27ClN4O2.C28H22N4O3.C28H28N4O3.C28H26N4O2.C27H19FN4O2/c1-39-26-9-7-25(8-10-26)33-30(37)24-6-11-27-28(15-24)35-29(34-27)22-2-4-23(5-3-22)31(38)36-32-16-19-12-20(17-32)14-21(13-19)18-32;1-39-26-9-7-25(8-10-26)33-32(38)22-6-11-27-28(17-22)35-30(34-27)20-2-4-21(5-3-20)31(37)36-29-23-13-18-12-19(15-23)16-24(29)14-18;29-22-13-12-21(16-23(22)30)32-27(35)18-9-7-17(8-10-18)26-33-24-14-11-19(15-25(24)34-26)28(36)31-20-5-3-1-2-4-6-20;29-21-12-14-23(15-13-21)31-27(34)19-9-7-18(8-10-19)26-32-24-16-11-20(17-25(24)33-26)28(35)30-22-5-3-1-2-4-6-22;1-35-23-14-12-22(13-15-23)30-27(33)19-9-7-18(8-10-19)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;1-35-23-14-12-22(13-15-23)30-28(34)20-11-16-24-25(17-20)32-26(31-24)18-7-9-19(10-8-18)27(33)29-21-5-3-2-4-6-21;33-27(32-24-15-17-6-7-20(24)14-17)19-10-8-18(9-11-19)26-30-23-13-12-21(16-25(23)31-26)28(34)29-22-4-2-1-3-5-22;28-20-11-13-22(14-12-20)30-26(33)18-8-6-17(7-9-18)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h2-11,15,19-21H,12-14,16-18H2,1H3,(H,33,37)(H,34,35)(H,36,38);2-11,17-19,23-24,29H,12-16H2,1H3,(H,33,38)(H,34,35)(H,36,37);7-16,20H,1-6H2,(H,31,36)(H,32,35)(H,33,34);7-17,22H,1-6H2,(H,30,35)(H,31,34)(H,32,33);2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);7-17,21H,2-6H2,1H3,(H,29,33)(H,30,34)(H,31,32);1-5,8-13,16-17,20,24H,6-7,14-15H2,(H,29,34)(H,30,31)(H,32,33);1-16H,(H,29,34)(H,30,33)(H,31,32)
InChIKeyADPXSXLDZFZVKQ-UHFFFAOYSA-N
MW3881.80 g/mol
LogP48.64
Rot. Bonds44

About 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide

2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 157081740) has the molecular formula C231H212Cl3FN32O20 and a molecular weight of 3881.80 g/mol. Its IUPAC name is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID157081740
Molecular FormulaC231H212Cl3FN32O20
Molecular Weight3881.80 g/mol
Exact Mass3877.56
IUPAC Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5C6CC7CC(C6)CC5C7)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CCCCC5)cc4)[nH]c3c2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc2nc(-c3ccc(C(=O)NC4CC5CCC4C5)cc3)[nH]c2c1
InChIInChI=1S/2C32H32N4O3.C28H26Cl2N4O2.C28H27ClN4O2.C28H22N4O3.C28H28N4O3.C28H26N4O2.C27H19FN4O2/c1-39-26-9-7-25(8-10-26)33-30(37)24-6-11-27-28(15-24)35-29(34-27)22-2-4-23(5-3-22)31(38)36-32-16-19-12-20(17-32)14-21(13-19)18-32;1-39-26-9-7-25(8-10-26)33-32(38)22-6-11-27-28(17-22)35-30(34-27)20-2-4-21(5-3-20)31(37)36-29-23-13-18-12-19(15-23)16-24(29)14-18;29-22-13-12-21(16-23(22)30)32-27(35)18-9-7-17(8-10-18)26-33-24-14-11-19(15-25(24)34-26)28(36)31-20-5-3-1-2-4-6-20;29-21-12-14-23(15-13-21)31-27(34)19-9-7-18(8-10-19)26-32-24-16-11-20(17-25(24)33-26)28(35)30-22-5-3-1-2-4-6-22;1-35-23-14-12-22(13-15-23)30-27(33)19-9-7-18(8-10-19)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;1-35-23-14-12-22(13-15-23)30-28(34)20-11-16-24-25(17-20)32-26(31-24)18-7-9-19(10-8-18)27(33)29-21-5-3-2-4-6-21;33-27(32-24-15-17-6-7-20(24)14-17)19-10-8-18(9-11-19)26-30-23-13-12-21(16-25(23)31-26)28(34)29-22-4-2-1-3-5-22;28-20-11-13-22(14-12-20)30-26(33)18-8-6-17(7-9-18)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h2-11,15,19-21H,12-14,16-18H2,1H3,(H,33,37)(H,34,35)(H,36,38);2-11,17-19,23-24,29H,12-16H2,1H3,(H,33,38)(H,34,35)(H,36,37);7-16,20H,1-6H2,(H,31,36)(H,32,35)(H,33,34);7-17,22H,1-6H2,(H,30,35)(H,31,34)(H,32,33);2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);7-17,21H,2-6H2,1H3,(H,29,33)(H,30,34)(H,31,32);1-5,8-13,16-17,20,24H,6-7,14-15H2,(H,29,34)(H,30,31)(H,32,33);1-16H,(H,29,34)(H,30,33)(H,31,32)
InChIKeyADPXSXLDZFZVKQ-UHFFFAOYSA-N
XLogP48.64
TPSA731.96 Ų
H-Bond Donors24
H-Bond Acceptors28
Rotatable Bonds44
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003881.80
LogP ≤ 548.64
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1028

Analyze 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (CID 157081740) is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5C6CC7CC(C6)CC5C7)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CCCCC5)cc4)[nH]c3c2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc2nc(-c3ccc(C(=O)NC4CC5CCC4C5)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is ADPXSXLDZFZVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H32N4O3.C28H26Cl2N4O2.C28H27ClN4O2.C28H22N4O3.C28H28N4O3.C28H26N4O2.C27H19FN4O2/c1-39-26-9-7-25(8-10-26)33-30(37)24-6-11-27-28(15-24)35-29(34-27)22-2-4-23(5-3-22)31(38)36-32-16-19-12-20(17-32)14-21(13-19)18-32;1-39-26-9-7-25(8-10-26)33-32(38)22-6-11-27-28(17-22)35-30(34-27)20-2-4-21(5-3-20)31(37)36-29-23-13-18-12-19(15-23)16-24(29)14-18;29-22-13-12-21(16-23(22)30)32-27(35)18-9-7-17(8-10-18)26-33-24-14-11-19(15-25(24)34-26)28(36)31-20-5-3-1-2-4-6-20;29-21-12-14-23(15-13-21)31-27(34)19-9-7-18(8-10-19)26-32-24-16-11-20(17-25(24)33-26)28(35)30-22-5-3-1-2-4-6-22;1-35-23-14-12-22(13-15-23)30-27(33)19-9-7-18(8-10-19)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;1-35-23-14-12-22(13-15-23)30-28(34)20-11-16-24-25(17-20)32-26(31-24)18-7-9-19(10-8-18)27(33)29-21-5-3-2-4-6-21;33-27(32-24-15-17-6-7-20(24)14-17)19-10-8-18(9-11-19)26-30-23-13-12-21(16-25(23)31-26)28(34)29-22-4-2-1-3-5-22;28-20-11-13-22(14-12-20)30-26(33)18-8-6-17(7-9-18)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h2-11,15,19-21H,12-14,16-18H2,1H3,(H,33,37)(H,34,35)(H,36,38);2-11,17-19,23-24,29H,12-16H2,1H3,(H,33,38)(H,34,35)(H,36,37);7-16,20H,1-6H2,(H,31,36)(H,32,35)(H,33,34);7-17,22H,1-6H2,(H,30,35)(H,31,34)(H,32,33);2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);7-17,21H,2-6H2,1H3,(H,29,33)(H,30,34)(H,31,32);1-5,8-13,16-17,20,24H,6-7,14-15H2,(H,29,34)(H,30,31)(H,32,33);1-16H,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 3881.80 g/mol, XLogP of 48.64, 44 rotatable bonds, 24 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 157081740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).