N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide

C173H172N24O12 — CID 159759999

IUPACN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.CC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)[nH]c2c1)C1C2CC3CC(C2)CC1C3.O=C(Nc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)[nH]c2c1)C1CC2CCC1C2
InChIInChI=1S/C34H34N4O2.C31H30N4O2.C31H32N4O2.C30H30N4O2.C25H22N4O2.C22H24N4O2/c39-33(28-18-27(28)21-4-2-1-3-5-21)35-25-8-6-22(7-9-25)32-37-29-11-10-26(17-30(29)38-32)36-34(40)31-23-13-19-12-20(15-23)16-24(31)14-19;36-30(25-15-18-6-7-21(25)14-18)33-23-12-13-27-28(16-23)35-29(34-27)20-8-10-22(11-9-20)32-31(37)26-17-24(26)19-4-2-1-3-5-19;36-30(22-10-4-1-2-5-11-22)33-24-16-17-27-28(18-24)35-29(34-27)21-12-14-23(15-13-21)32-31(37)26-19-25(26)20-8-6-3-7-9-20;35-29(21-9-5-2-6-10-21)32-23-15-16-26-27(17-23)34-28(33-26)20-11-13-22(14-12-20)31-30(36)25-18-24(25)19-7-3-1-4-8-19;1-15(30)26-19-11-12-22-23(13-19)29-24(28-22)17-7-9-18(10-8-17)27-25(31)21-14-20(21)16-5-3-2-4-6-16;1-14(27)23-17-9-7-15(8-10-17)21-25-19-12-11-18(13-20(19)26-21)24-22(28)16-5-3-2-4-6-16/h1-11,17,19-20,23-24,27-28,31H,12-16,18H2,(H,35,39)(H,36,40)(H,37,38);1-5,8-13,16,18,21,24-26H,6-7,14-15,17H2,(H,32,37)(H,33,36)(H,34,35);3,6-9,12-18,22,25-26H,1-2,4-5,10-11,19H2,(H,32,37)(H,33,36)(H,34,35);1,3-4,7-8,11-17,21,24-25H,2,5-6,9-10,18H2,(H,31,36)(H,32,35)(H,33,34);2-13,20-21H,14H2,1H3,(H,26,30)(H,27,31)(H,28,29);7-13,16H,2-6H2,1H3,(H,23,27)(H,24,28)(H,25,26)/t19?,20?,23?,24?,27-,28+,31?;18?,21?,24-,25?,26+;;;;/m11..../s1
InChIKeyNETFVBHVXURPNO-FJQRMHBKSA-N
MW2779.43 g/mol
LogP36.34
Rot. Bonds33

About N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide

N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 159759999) has the molecular formula C173H172N24O12 and a molecular weight of 2779.43 g/mol. Its IUPAC name is N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide
PubChem CID159759999
Molecular FormulaC173H172N24O12
Molecular Weight2779.43 g/mol
Exact Mass2777.36
IUPAC NameN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.CC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)[nH]c2c1)C1C2CC3CC(C2)CC1C3.O=C(Nc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)[nH]c2c1)C1CC2CCC1C2
InChIInChI=1S/C34H34N4O2.C31H30N4O2.C31H32N4O2.C30H30N4O2.C25H22N4O2.C22H24N4O2/c39-33(28-18-27(28)21-4-2-1-3-5-21)35-25-8-6-22(7-9-25)32-37-29-11-10-26(17-30(29)38-32)36-34(40)31-23-13-19-12-20(15-23)16-24(31)14-19;36-30(25-15-18-6-7-21(25)14-18)33-23-12-13-27-28(16-23)35-29(34-27)20-8-10-22(11-9-20)32-31(37)26-17-24(26)19-4-2-1-3-5-19;36-30(22-10-4-1-2-5-11-22)33-24-16-17-27-28(18-24)35-29(34-27)21-12-14-23(15-13-21)32-31(37)26-19-25(26)20-8-6-3-7-9-20;35-29(21-9-5-2-6-10-21)32-23-15-16-26-27(17-23)34-28(33-26)20-11-13-22(14-12-20)31-30(36)25-18-24(25)19-7-3-1-4-8-19;1-15(30)26-19-11-12-22-23(13-19)29-24(28-22)17-7-9-18(10-8-17)27-25(31)21-14-20(21)16-5-3-2-4-6-16;1-14(27)23-17-9-7-15(8-10-17)21-25-19-12-11-18(13-20(19)26-21)24-22(28)16-5-3-2-4-6-16/h1-11,17,19-20,23-24,27-28,31H,12-16,18H2,(H,35,39)(H,36,40)(H,37,38);1-5,8-13,16,18,21,24-26H,6-7,14-15,17H2,(H,32,37)(H,33,36)(H,34,35);3,6-9,12-18,22,25-26H,1-2,4-5,10-11,19H2,(H,32,37)(H,33,36)(H,34,35);1,3-4,7-8,11-17,21,24-25H,2,5-6,9-10,18H2,(H,31,36)(H,32,35)(H,33,34);2-13,20-21H,14H2,1H3,(H,26,30)(H,27,31)(H,28,29);7-13,16H,2-6H2,1H3,(H,23,27)(H,24,28)(H,25,26)/t19?,20?,23?,24?,27-,28+,31?;18?,21?,24-,25?,26+;;;;/m11..../s1
InChIKeyNETFVBHVXURPNO-FJQRMHBKSA-N
XLogP36.34
TPSA521.28 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002779.43
LogP ≤ 536.34
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Analyze N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10228230
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-4-chlorobenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;4-chloro-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,5-dichloro-N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 160652559
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]cyclopentanecarboxamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;bis(N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide);N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 160657271
N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 158510746
N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694983
N-(2-adamantyl)-2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-(2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide
CID 162136774
N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10276939
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide (CID 159759999) is N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide is CC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.CC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)[nH]c2c1)C1C2CC3CC(C2)CC1C3.O=C(Nc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)[nH]c2c1)C1CC2CCC1C2.
What is the InChIKey of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide?
The InChIKey is NETFVBHVXURPNO-FJQRMHBKSA-N. The full InChI is InChI=1S/C34H34N4O2.C31H30N4O2.C31H32N4O2.C30H30N4O2.C25H22N4O2.C22H24N4O2/c39-33(28-18-27(28)21-4-2-1-3-5-21)35-25-8-6-22(7-9-25)32-37-29-11-10-26(17-30(29)38-32)36-34(40)31-23-13-19-12-20(15-23)16-24(31)14-19;36-30(25-15-18-6-7-21(25)14-18)33-23-12-13-27-28(16-23)35-29(34-27)20-8-10-22(11-9-20)32-31(37)26-17-24(26)19-4-2-1-3-5-19;36-30(22-10-4-1-2-5-11-22)33-24-16-17-27-28(18-24)35-29(34-27)21-12-14-23(15-13-21)32-31(37)26-19-25(26)20-8-6-3-7-9-20;35-29(21-9-5-2-6-10-21)32-23-15-16-26-27(17-23)34-28(33-26)20-11-13-22(14-12-20)31-30(36)25-18-24(25)19-7-3-1-4-8-19;1-15(30)26-19-11-12-22-23(13-19)29-24(28-22)17-7-9-18(10-8-17)27-25(31)21-14-20(21)16-5-3-2-4-6-16;1-14(27)23-17-9-7-15(8-10-17)21-25-19-12-11-18(13-20(19)26-21)24-22(28)16-5-3-2-4-6-16/h1-11,17,19-20,23-24,27-28,31H,12-16,18H2,(H,35,39)(H,36,40)(H,37,38);1-5,8-13,16,18,21,24-26H,6-7,14-15,17H2,(H,32,37)(H,33,36)(H,34,35);3,6-9,12-18,22,25-26H,1-2,4-5,10-11,19H2,(H,32,37)(H,33,36)(H,34,35);1,3-4,7-8,11-17,21,24-25H,2,5-6,9-10,18H2,(H,31,36)(H,32,35)(H,33,34);2-13,20-21H,14H2,1H3,(H,26,30)(H,27,31)(H,28,29);7-13,16H,2-6H2,1H3,(H,23,27)(H,24,28)(H,25,26)/t19?,20?,23?,24?,27-,28+,31?;18?,21?,24-,25?,26+;;;;/m11..../s1.
What are the key properties of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide?
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide has a molecular weight of 2779.43 g/mol, XLogP of 36.34, 33 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 159759999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).