N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C216H237N29O16 — CID 158168962

IUPACN-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1(C)CC2CCC1(C)C(NC(=O)c1ccc(-c3nc4ccc(C(=O)NC5CC6CCC5(C)C(C)(C)C6)cc4[nH]3)cc1)C2.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(OC)cc5)cc4[nH]3)cc2)cc1.O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(NC1CCC1)c1ccc(-c2nc3ccc(C(=O)NC4CCC4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C37H48N4O2.2C35H40N4O2.C31H36N4O2.C29H24N4O4.C26H25N5O2.C23H24N4O2/c1-34(2)20-22-13-15-36(34,5)29(17-22)40-32(42)25-9-7-24(8-10-25)31-38-27-12-11-26(19-28(27)39-31)33(43)41-30-18-23-14-16-37(30,6)35(3,4)21-23;40-32(38-34-14-20-7-21(15-34)9-22(8-20)16-34)27-3-1-26(2-4-27)31-36-29-6-5-28(13-30(29)37-31)33(41)39-35-17-23-10-24(18-35)12-25(11-23)19-35;40-34(38-31-25-9-18-7-19(11-25)12-26(31)10-18)23-3-1-22(2-4-23)33-36-29-6-5-24(17-30(29)37-33)35(41)39-32-27-13-20-8-21(15-27)16-28(32)14-20;36-30(35-28-23-13-18-12-19(15-23)16-24(28)14-18)21-8-6-20(7-9-21)29-33-26-11-10-22(17-27(26)34-29)31(37)32-25-4-2-1-3-5-25;1-36-23-12-8-21(9-13-23)30-28(34)19-5-3-18(4-6-19)27-32-25-16-7-20(17-26(25)33-27)29(35)31-22-10-14-24(37-2)15-11-22;32-25(31-23-8-4-5-15-27-23)18-11-9-17(10-12-18)24-29-21-14-13-19(16-22(21)30-24)26(33)28-20-6-2-1-3-7-20;28-22(24-17-3-1-4-17)15-9-7-14(8-10-15)21-26-19-12-11-16(13-20(19)27-21)23(29)25-18-5-2-6-18/h7-12,19,22-23,29-30H,13-18,20-21H2,1-6H3,(H,38,39)(H,40,42)(H,41,43);1-6,13,20-25H,7-12,14-19H2,(H,36,37)(H,38,40)(H,39,41);1-6,17-21,25-28,31-32H,7-16H2,(H,36,37)(H,38,40)(H,39,41);6-11,17-19,23-25,28H,1-5,12-16H2,(H,32,37)(H,33,34)(H,35,36);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);4-5,8-16,20H,1-3,6-7H2,(H,28,33)(H,29,30)(H,27,31,32);7-13,17-18H,1-6H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyFXFDFIDULKHPTG-UHFFFAOYSA-N
MW3495.46 g/mol
LogP41.20
Rot. Bonds37

About N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 158168962) has the molecular formula C216H237N29O16 and a molecular weight of 3495.46 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID158168962
Molecular FormulaC216H237N29O16
Molecular Weight3495.46 g/mol
Exact Mass3492.86
IUPAC NameN-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1(C)CC2CCC1(C)C(NC(=O)c1ccc(-c3nc4ccc(C(=O)NC5CC6CCC5(C)C(C)(C)C6)cc4[nH]3)cc1)C2.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(OC)cc5)cc4[nH]3)cc2)cc1.O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(NC1CCC1)c1ccc(-c2nc3ccc(C(=O)NC4CCC4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C37H48N4O2.2C35H40N4O2.C31H36N4O2.C29H24N4O4.C26H25N5O2.C23H24N4O2/c1-34(2)20-22-13-15-36(34,5)29(17-22)40-32(42)25-9-7-24(8-10-25)31-38-27-12-11-26(19-28(27)39-31)33(43)41-30-18-23-14-16-37(30,6)35(3,4)21-23;40-32(38-34-14-20-7-21(15-34)9-22(8-20)16-34)27-3-1-26(2-4-27)31-36-29-6-5-28(13-30(29)37-31)33(41)39-35-17-23-10-24(18-35)12-25(11-23)19-35;40-34(38-31-25-9-18-7-19(11-25)12-26(31)10-18)23-3-1-22(2-4-23)33-36-29-6-5-24(17-30(29)37-33)35(41)39-32-27-13-20-8-21(15-27)16-28(32)14-20;36-30(35-28-23-13-18-12-19(15-23)16-24(28)14-18)21-8-6-20(7-9-21)29-33-26-11-10-22(17-27(26)34-29)31(37)32-25-4-2-1-3-5-25;1-36-23-12-8-21(9-13-23)30-28(34)19-5-3-18(4-6-19)27-32-25-16-7-20(17-26(25)33-27)29(35)31-22-10-14-24(37-2)15-11-22;32-25(31-23-8-4-5-15-27-23)18-11-9-17(10-12-18)24-29-21-14-13-19(16-22(21)30-24)26(33)28-20-6-2-1-3-7-20;28-22(24-17-3-1-4-17)15-9-7-14(8-10-15)21-26-19-12-11-16(13-20(19)27-21)23(29)25-18-5-2-6-18/h7-12,19,22-23,29-30H,13-18,20-21H2,1-6H3,(H,38,39)(H,40,42)(H,41,43);1-6,13,20-25H,7-12,14-19H2,(H,36,37)(H,38,40)(H,39,41);1-6,17-21,25-28,31-32H,7-16H2,(H,36,37)(H,38,40)(H,39,41);6-11,17-19,23-25,28H,1-5,12-16H2,(H,32,37)(H,33,34)(H,35,36);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);4-5,8-16,20H,1-3,6-7H2,(H,28,33)(H,29,30)(H,27,31,32);7-13,17-18H,1-6H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyFXFDFIDULKHPTG-UHFFFAOYSA-N
XLogP41.20
TPSA639.51 Ų
H-Bond Donors21
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003495.46
LogP ≤ 541.20
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1024

Analyze N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

5-tert-butyl-3,3-difluoro-1H-indol-2-one;5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-tert-butyl-4-fluoro-1,3-dihydroindol-2-one;(3Z)-5-tert-butyl-3-(furan-2-ylmethylidene)-1H-indol-2-one;(3E)-5-tert-butyl-3-(furan-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-tert-butyl-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one;(3E)-5-tert-butyl-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 159989407
5-tert-butyl-3,3-difluoro-1H-indol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-tert-butyl-4-fluoro-1,3-dihydroindol-2-one;5-tert-butyl-6-fluoro-1,3-dihydroindol-2-one;5-tert-butyl-7-fluoro-1,3-dihydroindol-2-one;(3Z)-5-tert-butyl-3-(furan-2-ylmethylidene)-1H-indol-2-one;(3E)-5-tert-butyl-3-(furan-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-tert-butyl-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one;(3E)-5-tert-butyl-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;5-tert-butyl-3-methyl-1,3-dihydroindol-2-one;5-tert-butylspiro[1H-indole-3,1'-cyclopropane]-2-one;methane
CID 161548805
(8S,11S,17S,20S,23S,26S,29S,32R)-26,29-bis[(5-fluoro-1H-indol-3-yl)methyl]-20-(1H-imidazol-5-ylmethyl)-17-[(4-methoxyphenyl)methyl]-11,23,32-trimethyl-2,10,16,19,22,25,28,31,34-nonaoxo-1,9,15,18,21,24,27,30,33-nonazatetracyclo[35.2.2.23,6.011,15]tritetraconta-3(43),4,6(42)-triene-8-carboxamide
CID 169069841
N-(2-adamantyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 16084389
2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 20739879
(4-tert-butylphenyl) 2,5-bis[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyridine-4-carboxylate
CID 57388839
(4-tert-butylphenyl) 2,5-bis[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyridine-4-carboxylate
CID 76534321
phenyl N-[(2S)-3-methyl-1-[(2S)-2-[6-[11-methyl-6-[4-[2-[(2S)-1-(3-methyl-2-phenylbutanoyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90053688
methyl N-[1-[2-[5-[6-[6-[2-[1-[2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaen-3-yl]-3-pyridinyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-2-yl]carbamate
CID 123169632
1-cyclohexyl-N-[1-[3-methyl-6-[(E)-3-oxobut-1-enyl]-1H-benzimidazol-3-ium-2-yl]cyclobutyl]-2-pyridin-2-yl-3H-indene-5-carboxamide;1-cyclohexyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-yl-3H-indene-5-carboxamide;3-cyclopentyl-N-[1-[6-methoxy-1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyrazin-2-ylindole-6-carboxamide
CID 123495104
2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 123675036
methyl N-[3-methyl-1-oxo-1-[2-[5-[6-[6-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)-11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaen-3-yl]-3-pyridinyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 123677588

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 158168962) is N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is CC1(C)CC2CCC1(C)C(NC(=O)c1ccc(-c3nc4ccc(C(=O)NC5CC6CCC5(C)C(C)(C)C6)cc4[nH]3)cc1)C2.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(OC)cc5)cc4[nH]3)cc2)cc1.O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(NC1CCC1)c1ccc(-c2nc3ccc(C(=O)NC4CCC4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.
What is the InChIKey of N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is FXFDFIDULKHPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N4O2.2C35H40N4O2.C31H36N4O2.C29H24N4O4.C26H25N5O2.C23H24N4O2/c1-34(2)20-22-13-15-36(34,5)29(17-22)40-32(42)25-9-7-24(8-10-25)31-38-27-12-11-26(19-28(27)39-31)33(43)41-30-18-23-14-16-37(30,6)35(3,4)21-23;40-32(38-34-14-20-7-21(15-34)9-22(8-20)16-34)27-3-1-26(2-4-27)31-36-29-6-5-28(13-30(29)37-31)33(41)39-35-17-23-10-24(18-35)12-25(11-23)19-35;40-34(38-31-25-9-18-7-19(11-25)12-26(31)10-18)23-3-1-22(2-4-23)33-36-29-6-5-24(17-30(29)37-33)35(41)39-32-27-13-20-8-21(15-27)16-28(32)14-20;36-30(35-28-23-13-18-12-19(15-23)16-24(28)14-18)21-8-6-20(7-9-21)29-33-26-11-10-22(17-27(26)34-29)31(37)32-25-4-2-1-3-5-25;1-36-23-12-8-21(9-13-23)30-28(34)19-5-3-18(4-6-19)27-32-25-16-7-20(17-26(25)33-27)29(35)31-22-10-14-24(37-2)15-11-22;32-25(31-23-8-4-5-15-27-23)18-11-9-17(10-12-18)24-29-21-14-13-19(16-22(21)30-24)26(33)28-20-6-2-1-3-7-20;28-22(24-17-3-1-4-17)15-9-7-14(8-10-15)21-26-19-12-11-16(13-20(19)27-21)23(29)25-18-5-2-6-18/h7-12,19,22-23,29-30H,13-18,20-21H2,1-6H3,(H,38,39)(H,40,42)(H,41,43);1-6,13,20-25H,7-12,14-19H2,(H,36,37)(H,38,40)(H,39,41);1-6,17-21,25-28,31-32H,7-16H2,(H,36,37)(H,38,40)(H,39,41);6-11,17-19,23-25,28H,1-5,12-16H2,(H,32,37)(H,33,34)(H,35,36);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);4-5,8-16,20H,1-3,6-7H2,(H,28,33)(H,29,30)(H,27,31,32);7-13,17-18H,1-6H2,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 3495.46 g/mol, XLogP of 41.20, 37 rotatable bonds, 21 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)-2-[4-[(1,6,6-trimethyl-2-bicyclo[2.2.2]octanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158168962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).