N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide

C214H236N30O14S — CID 158430637

IUPACN-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC1(C)CC1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CC4(C)C)cc3[nH]2)cc1.CC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccsc5)cc4[nH]3)cc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3[nH]2)cc1)C1(c2ccccc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CCCCC4)cc3[nH]2)cc1)C1(c2ccccc2)CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2CCC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)NC4CCCCC4)cc3[nH]2)cc1)NC1CCCCC1
InChIInChI=1S/C39H40N4O2.C35H48N4O2.C33H28N4O2.C29H32N4O2.C27H34N6O2.C26H26N4O2S.C25H28N4O2/c44-36(38(23-9-3-10-24-38)29-13-5-1-6-14-29)40-31-19-17-28(18-20-31)35-42-33-22-21-32(27-34(33)43-35)41-37(45)39(25-11-4-12-26-39)30-15-7-2-8-16-30;1-34(2,3)25-13-7-23(8-14-25)32(40)36-27-17-11-22(12-18-27)31-38-29-20-19-28(21-30(29)39-31)37-33(41)24-9-15-26(16-10-24)35(4,5)6;38-30(32(17-18-32)23-7-3-1-4-8-23)34-25-13-11-22(12-14-25)29-36-27-16-15-26(21-28(27)37-29)35-31(39)33(19-20-33)24-9-5-2-6-10-24;34-28(23-13-16-1-3-19(23)11-16)30-21-7-5-18(6-8-21)27-32-25-10-9-22(15-26(25)33-27)31-29(35)24-14-17-2-4-20(24)12-17;34-26(28-19-7-3-1-4-8-19)30-21-13-11-18(12-14-21)25-32-23-16-15-22(17-24(23)33-25)31-27(35)29-20-9-5-2-6-10-20;1-16-2-4-18(5-3-16)25(31)27-20-8-6-17(7-9-20)24-29-22-11-10-21(14-23(22)30-24)28-26(32)19-12-13-33-15-19;1-24(2)12-17(24)22(30)26-15-7-5-14(6-8-15)21-28-19-10-9-16(11-20(19)29-21)27-23(31)18-13-25(18,3)4/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);11-12,17-21,23-26H,7-10,13-16H2,1-6H3,(H,36,40)(H,37,41)(H,38,39);1-16,21H,17-20H2,(H,34,38)(H,35,39)(H,36,37);5-10,15-17,19-20,23-24H,1-4,11-14H2,(H,30,34)(H,31,35)(H,32,33);11-17,19-20H,1-10H2,(H,32,33)(H2,28,30,34)(H2,29,31,35);6-16,18H,2-5H2,1H3,(H,27,31)(H,28,32)(H,29,30);5-11,17-18H,12-13H2,1-4H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyHBPPURVIXBYGPC-UHFFFAOYSA-N
MW3484.50 g/mol
LogP47.92
Rot. Bonds39

About N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide

N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 158430637) has the molecular formula C214H236N30O14S and a molecular weight of 3484.50 g/mol. Its IUPAC name is N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID158430637
Molecular FormulaC214H236N30O14S
Molecular Weight3484.50 g/mol
Exact Mass3481.84
IUPAC NameN-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC1(C)CC1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CC4(C)C)cc3[nH]2)cc1.CC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccsc5)cc4[nH]3)cc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3[nH]2)cc1)C1(c2ccccc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CCCCC4)cc3[nH]2)cc1)C1(c2ccccc2)CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2CCC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)NC4CCCCC4)cc3[nH]2)cc1)NC1CCCCC1
InChIInChI=1S/C39H40N4O2.C35H48N4O2.C33H28N4O2.C29H32N4O2.C27H34N6O2.C26H26N4O2S.C25H28N4O2/c44-36(38(23-9-3-10-24-38)29-13-5-1-6-14-29)40-31-19-17-28(18-20-31)35-42-33-22-21-32(27-34(33)43-35)41-37(45)39(25-11-4-12-26-39)30-15-7-2-8-16-30;1-34(2,3)25-13-7-23(8-14-25)32(40)36-27-17-11-22(12-18-27)31-38-29-20-19-28(21-30(29)39-31)37-33(41)24-9-15-26(16-10-24)35(4,5)6;38-30(32(17-18-32)23-7-3-1-4-8-23)34-25-13-11-22(12-14-25)29-36-27-16-15-26(21-28(27)37-29)35-31(39)33(19-20-33)24-9-5-2-6-10-24;34-28(23-13-16-1-3-19(23)11-16)30-21-7-5-18(6-8-21)27-32-25-10-9-22(15-26(25)33-27)31-29(35)24-14-17-2-4-20(24)12-17;34-26(28-19-7-3-1-4-8-19)30-21-13-11-18(12-14-21)25-32-23-16-15-22(17-24(23)33-25)31-27(35)29-20-9-5-2-6-10-20;1-16-2-4-18(5-3-16)25(31)27-20-8-6-17(7-9-20)24-29-22-11-10-21(14-23(22)30-24)28-26(32)19-12-13-33-15-19;1-24(2)12-17(24)22(30)26-15-7-5-14(6-8-15)21-28-19-10-9-16(11-20(19)29-21)27-23(31)18-13-25(18,3)4/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);11-12,17-21,23-26H,7-10,13-16H2,1-6H3,(H,36,40)(H,37,41)(H,38,39);1-16,21H,17-20H2,(H,34,38)(H,35,39)(H,36,37);5-10,15-17,19-20,23-24H,1-4,11-14H2,(H,30,34)(H,31,35)(H,32,33);11-17,19-20H,1-10H2,(H,32,33)(H2,28,30,34)(H2,29,31,35);6-16,18H,2-5H2,1H3,(H,27,31)(H,28,32)(H,29,30);5-11,17-18H,12-13H2,1-4H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyHBPPURVIXBYGPC-UHFFFAOYSA-N
XLogP47.92
TPSA632.22 Ų
H-Bond Donors23
H-Bond Acceptors22
Rotatable Bonds39
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003484.50
LogP ≤ 547.92
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1022

Analyze N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide (CID 158430637) is N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide is CC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC1(C)CC1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CC4(C)C)cc3[nH]2)cc1.CC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccsc5)cc4[nH]3)cc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3[nH]2)cc1)C1(c2ccccc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CCCCC4)cc3[nH]2)cc1)C1(c2ccccc2)CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2CCC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)NC4CCCCC4)cc3[nH]2)cc1)NC1CCCCC1.
What is the InChIKey of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is HBPPURVIXBYGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N4O2.C35H48N4O2.C33H28N4O2.C29H32N4O2.C27H34N6O2.C26H26N4O2S.C25H28N4O2/c44-36(38(23-9-3-10-24-38)29-13-5-1-6-14-29)40-31-19-17-28(18-20-31)35-42-33-22-21-32(27-34(33)43-35)41-37(45)39(25-11-4-12-26-39)30-15-7-2-8-16-30;1-34(2,3)25-13-7-23(8-14-25)32(40)36-27-17-11-22(12-18-27)31-38-29-20-19-28(21-30(29)39-31)37-33(41)24-9-15-26(16-10-24)35(4,5)6;38-30(32(17-18-32)23-7-3-1-4-8-23)34-25-13-11-22(12-14-25)29-36-27-16-15-26(21-28(27)37-29)35-31(39)33(19-20-33)24-9-5-2-6-10-24;34-28(23-13-16-1-3-19(23)11-16)30-21-7-5-18(6-8-21)27-32-25-10-9-22(15-26(25)33-27)31-29(35)24-14-17-2-4-20(24)12-17;34-26(28-19-7-3-1-4-8-19)30-21-13-11-18(12-14-21)25-32-23-16-15-22(17-24(23)33-25)31-27(35)29-20-9-5-2-6-10-20;1-16-2-4-18(5-3-16)25(31)27-20-8-6-17(7-9-20)24-29-22-11-10-21(14-23(22)30-24)28-26(32)19-12-13-33-15-19;1-24(2)12-17(24)22(30)26-15-7-5-14(6-8-15)21-28-19-10-9-16(11-20(19)29-21)27-23(31)18-13-25(18,3)4/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);11-12,17-21,23-26H,7-10,13-16H2,1-6H3,(H,36,40)(H,37,41)(H,38,39);1-16,21H,17-20H2,(H,34,38)(H,35,39)(H,36,37);5-10,15-17,19-20,23-24H,1-4,11-14H2,(H,30,34)(H,31,35)(H,32,33);11-17,19-20H,1-10H2,(H,32,33)(H2,28,30,34)(H2,29,31,35);6-16,18H,2-5H2,1H3,(H,27,31)(H,28,32)(H,29,30);5-11,17-18H,12-13H2,1-4H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide?
N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 3484.50 g/mol, XLogP of 47.92, 39 rotatable bonds, 23 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-cyclohexyl-3-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]urea;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158430637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).