bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide

C172H198N24O12 — CID 159764557

IUPACbis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc3nc(-c4ccc(C(=O)NC5CCCCC5)cc4)[nH]c3c2)CC1.CC1CCCCC1C(=O)Nc1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1
InChIInChI=1S/C31H36N4O2.C31H30N4O2.2C28H34N4O2.2C27H32N4O2/c2*36-29(32-24-4-2-1-3-5-24)23-8-6-22(7-9-23)28-34-26-11-10-25(15-27(26)35-28)33-30(37)31-16-19-12-20(17-31)14-21(13-19)18-31;1-18-7-5-6-10-23(18)28(34)30-22-15-16-24-25(17-22)32-26(31-24)19-11-13-20(14-12-19)27(33)29-21-8-3-2-4-9-21;1-18-7-9-20(10-8-18)28(34)30-23-15-16-24-25(17-23)32-26(31-24)19-11-13-21(14-12-19)27(33)29-22-5-3-2-4-6-22;2*32-26(19-7-3-1-4-8-19)29-22-15-16-23-24(17-22)31-25(30-23)18-11-13-20(14-12-18)27(33)28-21-9-5-2-6-10-21/h6-11,15,19-21,24H,1-5,12-14,16-18H2,(H,32,36)(H,33,37)(H,34,35);1-11,15,19-21H,12-14,16-18H2,(H,32,36)(H,33,37)(H,34,35);11-18,21,23H,2-10H2,1H3,(H,29,33)(H,30,34)(H,31,32);11-18,20,22H,2-10H2,1H3,(H,29,33)(H,30,34)(H,31,32);2*11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyNFIHYDJGBBUJDJ-UHFFFAOYSA-N
MW2793.63 g/mol
LogP36.82
Rot. Bonds30

About bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide

bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide (PubChem CID 159764557) has the molecular formula C172H198N24O12 and a molecular weight of 2793.63 g/mol. Its IUPAC name is bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide.

Molecular Properties

Compound Namebis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
PubChem CID159764557
Molecular FormulaC172H198N24O12
Molecular Weight2793.63 g/mol
Exact Mass2791.56
IUPAC Namebis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc3nc(-c4ccc(C(=O)NC5CCCCC5)cc4)[nH]c3c2)CC1.CC1CCCCC1C(=O)Nc1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1
InChIInChI=1S/C31H36N4O2.C31H30N4O2.2C28H34N4O2.2C27H32N4O2/c2*36-29(32-24-4-2-1-3-5-24)23-8-6-22(7-9-23)28-34-26-11-10-25(15-27(26)35-28)33-30(37)31-16-19-12-20(17-31)14-21(13-19)18-31;1-18-7-5-6-10-23(18)28(34)30-22-15-16-24-25(17-22)32-26(31-24)19-11-13-20(14-12-19)27(33)29-21-8-3-2-4-9-21;1-18-7-9-20(10-8-18)28(34)30-23-15-16-24-25(17-23)32-26(31-24)19-11-13-21(14-12-19)27(33)29-22-5-3-2-4-6-22;2*32-26(19-7-3-1-4-8-19)29-22-15-16-23-24(17-22)31-25(30-23)18-11-13-20(14-12-18)27(33)28-21-9-5-2-6-10-21/h6-11,15,19-21,24H,1-5,12-14,16-18H2,(H,32,36)(H,33,37)(H,34,35);1-11,15,19-21H,12-14,16-18H2,(H,32,36)(H,33,37)(H,34,35);11-18,21,23H,2-10H2,1H3,(H,29,33)(H,30,34)(H,31,32);11-18,20,22H,2-10H2,1H3,(H,29,33)(H,30,34)(H,31,32);2*11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyNFIHYDJGBBUJDJ-UHFFFAOYSA-N
XLogP36.82
TPSA521.28 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002793.63
LogP ≤ 536.82
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Analyze bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide with MolForge

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Related Compounds

N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]tridecanediamide
CID 145970174
N-[[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]-N'-[[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]tridecanediamide
CID 52913445
N-[[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]-N'-[[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]nonanediamide
CID 56671937
N-[[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]-N'-[[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]heptanediamide
CID 56681974
N-[2-amino-1-[2-(1H-benzimidazol-2-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide;hydrochloride
CID 90665417
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]undecanediamide
CID 145968592
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]heptanediamide
CID 145968838
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]propanediamide
CID 145969953
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]nonanediamide
CID 145970833
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]pentanediamide
CID 145971083
N-[3-(dimethylamino)propyl]-2-[2-[[3-[4-[3-[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methylamino]-3-oxopropyl]piperazin-1-yl]propanoylamino]methyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 156020974
N-[3-(dimethylamino)propyl]-2-[2-[[4-[4-[4-[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methylamino]-4-oxobutyl]piperazin-1-yl]butanoylamino]methyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 156021008

Frequently Asked Questions

What is the IUPAC name of bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide?
The IUPAC name of bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide (CID 159764557) is bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide.
What is the SMILES notation for bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide?
The canonical SMILES for bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide is CC1CCC(C(=O)Nc2ccc3nc(-c4ccc(C(=O)NC5CCCCC5)cc4)[nH]c3c2)CC1.CC1CCCCC1C(=O)Nc1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.
What is the InChIKey of bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide?
The InChIKey is NFIHYDJGBBUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2.C31H30N4O2.2C28H34N4O2.2C27H32N4O2/c2*36-29(32-24-4-2-1-3-5-24)23-8-6-22(7-9-23)28-34-26-11-10-25(15-27(26)35-28)33-30(37)31-16-19-12-20(17-31)14-21(13-19)18-31;1-18-7-5-6-10-23(18)28(34)30-22-15-16-24-25(17-22)32-26(31-24)19-11-13-20(14-12-19)27(33)29-21-8-3-2-4-9-21;1-18-7-9-20(10-8-18)28(34)30-23-15-16-24-25(17-23)32-26(31-24)19-11-13-21(14-12-19)27(33)29-22-5-3-2-4-6-22;2*32-26(19-7-3-1-4-8-19)29-22-15-16-23-24(17-22)31-25(30-23)18-11-13-20(14-12-18)27(33)28-21-9-5-2-6-10-21/h6-11,15,19-21,24H,1-5,12-14,16-18H2,(H,32,36)(H,33,37)(H,34,35);1-11,15,19-21H,12-14,16-18H2,(H,32,36)(H,33,37)(H,34,35);11-18,21,23H,2-10H2,1H3,(H,29,33)(H,30,34)(H,31,32);11-18,20,22H,2-10H2,1H3,(H,29,33)(H,30,34)(H,31,32);2*11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide?
bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide has a molecular weight of 2793.63 g/mol, XLogP of 36.82, 30 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide is sourced from PubChem (CID 159764557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).