2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C178H166F2N24O14 — CID 158217360

IUPAC2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CCC(C)CC5)cc4[nH]3)cc2)CC1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(OC)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(C)cc5)cc4[nH]3)cc2)cc1.O=C(NC1CC1c1ccccc1)c1ccc(-c2nc3ccc(C(=O)NC4CC4c4ccccc4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C33H28N4O2.C31H36N4O2.C29H24N4O4.C29H36N4O2.C29H24N4O2.C27H18F2N4O2/c38-32(36-28-18-25(28)20-7-3-1-4-8-20)23-13-11-22(12-14-23)31-34-27-16-15-24(17-30(27)35-31)33(39)37-29-19-26(29)21-9-5-2-6-10-21;36-29(32-25-4-2-1-3-5-25)24-10-11-26-27(15-24)34-28(33-26)22-6-8-23(9-7-22)30(37)35-31-16-19-12-20(17-31)14-21(13-19)18-31;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;2*1-18-3-12-23(13-4-18)30-28(34)21-9-7-20(8-10-21)27-32-25-16-11-22(17-26(25)33-27)29(35)31-24-14-5-19(2)6-15-24;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/h1-17,25-26,28-29H,18-19H2,(H,34,35)(H,36,38)(H,37,39);6-11,15,19-21,25H,1-5,12-14,16-18H2,(H,32,36)(H,33,34)(H,35,37);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);7-11,16-19,23-24H,3-6,12-15H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-15H,(H,30,34)(H,31,35)(H,32,33)
InChIKeyGCVAOVGDJSHSNP-UHFFFAOYSA-N
MW2903.44 g/mol
LogP35.76
Rot. Bonds34

About 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 158217360) has the molecular formula C178H166F2N24O14 and a molecular weight of 2903.44 g/mol. Its IUPAC name is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID158217360
Molecular FormulaC178H166F2N24O14
Molecular Weight2903.44 g/mol
Exact Mass2901.30
IUPAC Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CCC(C)CC5)cc4[nH]3)cc2)CC1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(OC)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(C)cc5)cc4[nH]3)cc2)cc1.O=C(NC1CC1c1ccccc1)c1ccc(-c2nc3ccc(C(=O)NC4CC4c4ccccc4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C33H28N4O2.C31H36N4O2.C29H24N4O4.C29H36N4O2.C29H24N4O2.C27H18F2N4O2/c38-32(36-28-18-25(28)20-7-3-1-4-8-20)23-13-11-22(12-14-23)31-34-27-16-15-24(17-30(27)35-31)33(39)37-29-19-26(29)21-9-5-2-6-10-21;36-29(32-25-4-2-1-3-5-25)24-10-11-26-27(15-24)34-28(33-26)22-6-8-23(9-7-22)30(37)35-31-16-19-12-20(17-31)14-21(13-19)18-31;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;2*1-18-3-12-23(13-4-18)30-28(34)21-9-7-20(8-10-21)27-32-25-16-11-22(17-26(25)33-27)29(35)31-24-14-5-19(2)6-15-24;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/h1-17,25-26,28-29H,18-19H2,(H,34,35)(H,36,38)(H,37,39);6-11,15,19-21,25H,1-5,12-14,16-18H2,(H,32,36)(H,33,34)(H,35,37);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);7-11,16-19,23-24H,3-6,12-15H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-15H,(H,30,34)(H,31,35)(H,32,33)
InChIKeyGCVAOVGDJSHSNP-UHFFFAOYSA-N
XLogP35.76
TPSA539.74 Ų
H-Bond Donors18
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002903.44
LogP ≤ 535.76
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1020

Analyze 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58226517
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59616622
N-(3-aminopropyl)-2-[4-[5-[4-[6-(3-aminopropylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-2-furyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 473617
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-(3-fluoro-4-methoxyphenyl)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 57339463
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58031971
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-(4-cyclopentyloxy-3-fluorophenyl)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58032053
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-[4-(2,2-difluoroethoxy)phenyl]-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58226762
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-(4-cyclopentyloxy-3-fluorophenyl)-5-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58403882
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-[4-(difluoromethoxy)phenyl]-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59616875
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-(4-ethoxy-3-fluorophenyl)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59616958
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59617054
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-(3,5-difluoro-4-methoxyphenyl)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59617056

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 158217360) is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CCC(C)CC5)cc4[nH]3)cc2)CC1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(OC)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(C)cc5)cc4[nH]3)cc2)cc1.O=C(NC1CC1c1ccccc1)c1ccc(-c2nc3ccc(C(=O)NC4CC4c4ccccc4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GCVAOVGDJSHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O2.C31H36N4O2.C29H24N4O4.C29H36N4O2.C29H24N4O2.C27H18F2N4O2/c38-32(36-28-18-25(28)20-7-3-1-4-8-20)23-13-11-22(12-14-23)31-34-27-16-15-24(17-30(27)35-31)33(39)37-29-19-26(29)21-9-5-2-6-10-21;36-29(32-25-4-2-1-3-5-25)24-10-11-26-27(15-24)34-28(33-26)22-6-8-23(9-7-22)30(37)35-31-16-19-12-20(17-31)14-21(13-19)18-31;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;2*1-18-3-12-23(13-4-18)30-28(34)21-9-7-20(8-10-21)27-32-25-16-11-22(17-26(25)33-27)29(35)31-24-14-5-19(2)6-15-24;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/h1-17,25-26,28-29H,18-19H2,(H,34,35)(H,36,38)(H,37,39);6-11,15,19-21,25H,1-5,12-14,16-18H2,(H,32,36)(H,33,34)(H,35,37);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);7-11,16-19,23-24H,3-6,12-15H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-15H,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 2903.44 g/mol, XLogP of 35.76, 34 rotatable bonds, 18 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158217360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).