(2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid

C122H151ClN20O9 — CID 91290423

IUPAC(2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid
SMILESCN1CCN(c2nc3ccccc3n2Cc2ccc([C@@H]3CCCC[C@H]3C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)CC1.CN1CCN(c2nc3ccccc3n2Cc2ccc([C@@H]3CCCC[C@H]3C(=O)O)cc2)CC1.CN1CCNCC1.COC(=O)[C@@H]1CCCC[C@H]1c1ccc(Cn2c(Cl)nc3ccccc32)cc1.COC(=O)[C@@H]1CCCC[C@H]1c1ccc(Cn2c(N3CCN(C)CC3)nc3ccccc32)cc1.NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C34H40N6O2.C27H34N4O2.C26H32N4O2.C22H23ClN2O2.C8H10N2O.C5H12N2/c1-38-19-21-39(22-20-38)34-36-29-13-7-8-14-30(29)40(34)23-24-15-17-25(18-16-24)27-11-5-6-12-28(27)33(42)37-31(32(35)41)26-9-3-2-4-10-26;1-29-15-17-30(18-16-29)27-28-24-9-5-6-10-25(24)31(27)19-20-11-13-21(14-12-20)22-7-3-4-8-23(22)26(32)33-2;1-28-14-16-29(17-15-28)26-27-23-8-4-5-9-24(23)30(26)18-19-10-12-20(13-11-19)21-6-2-3-7-22(21)25(31)32;1-27-21(26)18-7-3-2-6-17(18)16-12-10-15(11-13-16)14-25-20-9-5-4-8-19(20)24-22(25)23;9-7(8(10)11)6-4-2-1-3-5-6;1-7-4-2-6-3-5-7/h2-4,7-10,13-18,27-28,31H,5-6,11-12,19-23H2,1H3,(H2,35,41)(H,37,42);5-6,9-14,22-23H,3-4,7-8,15-19H2,1-2H3;4-5,8-13,21-22H,2-3,6-7,14-18H2,1H3,(H,31,32);4-5,8-13,17-18H,2-3,6-7,14H2,1H3;1-5,7H,9H2,(H2,10,11);6H,2-5H2,1H3/t27-,28+,31-;22-,23+;21-,22+;17-,18+;7-;/m00000./s1
InChIKeyXQKAOHTYTLIGAO-QWCLJDAFSA-N
MW2077.13 g/mol
LogP17.81
Rot. Bonds24

About (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid

(2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid (PubChem CID 91290423) has the molecular formula C122H151ClN20O9 and a molecular weight of 2077.13 g/mol. Its IUPAC name is (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid
PubChem CID91290423
Molecular FormulaC122H151ClN20O9
Molecular Weight2077.13 g/mol
Exact Mass2075.17
IUPAC Name(2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid
SMILESCN1CCN(c2nc3ccccc3n2Cc2ccc([C@@H]3CCCC[C@H]3C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)CC1.CN1CCN(c2nc3ccccc3n2Cc2ccc([C@@H]3CCCC[C@H]3C(=O)O)cc2)CC1.CN1CCNCC1.COC(=O)[C@@H]1CCCC[C@H]1c1ccc(Cn2c(Cl)nc3ccccc32)cc1.COC(=O)[C@@H]1CCCC[C@H]1c1ccc(Cn2c(N3CCN(C)CC3)nc3ccccc32)cc1.NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C34H40N6O2.C27H34N4O2.C26H32N4O2.C22H23ClN2O2.C8H10N2O.C5H12N2/c1-38-19-21-39(22-20-38)34-36-29-13-7-8-14-30(29)40(34)23-24-15-17-25(18-16-24)27-11-5-6-12-28(27)33(42)37-31(32(35)41)26-9-3-2-4-10-26;1-29-15-17-30(18-16-29)27-28-24-9-5-6-10-25(24)31(27)19-20-11-13-21(14-12-20)22-7-3-4-8-23(22)26(32)33-2;1-28-14-16-29(17-15-28)26-27-23-8-4-5-9-24(23)30(26)18-19-10-12-20(13-11-19)21-6-2-3-7-22(21)25(31)32;1-27-21(26)18-7-3-2-6-17(18)16-12-10-15(11-13-16)14-25-20-9-5-4-8-19(20)24-22(25)23;9-7(8(10)11)6-4-2-1-3-5-6;1-7-4-2-6-3-5-7/h2-4,7-10,13-18,27-28,31H,5-6,11-12,19-23H2,1H3,(H2,35,41)(H,37,42);5-6,9-14,22-23H,3-4,7-8,15-19H2,1-2H3;4-5,8-13,21-22H,2-3,6-7,14-18H2,1H3,(H,31,32);4-5,8-13,17-18H,2-3,6-7,14H2,1H3;1-5,7H,9H2,(H2,10,11);6H,2-5H2,1H3/t27-,28+,31-;22-,23+;21-,22+;17-,18+;7-;/m00000./s1
InChIKeyXQKAOHTYTLIGAO-QWCLJDAFSA-N
XLogP17.81
TPSA337.19 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002077.13
LogP ≤ 517.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid 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

2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)
CID 158259551
4-[3-(2,2-difluoro-2-phenylethyl)-8-methoxycarbonyl-7,9-dihydro-6H-imidazo[4,5-h]isoquinolin-2-yl]cyclohexane-1-carboxylic acid;methyl carbonochloridate;methyl 3-(2,2-difluoro-2-phenylethyl)-2-(4-methoxycarbonylcyclohexyl)-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate;methyl 4-[3-(2,2-difluoro-2-phenylethyl)-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinolin-2-yl]cyclohexane-1-carboxylate
CID 165046711
methyl N-[(1R)-2-[(2S)-2-[6-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 46869078
methyl N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[6-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamate
CID 58421435
methyl N-[2-[(1R,3S,5R)-3-[6-[4-[2-[(1R,3S,5R)-2-[2-(methoxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamate
CID 59237066
methoxy N-[(1R)-2-[(1R,3S,5R)-3-[6-[4-[2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]methanimidate
CID 59539133
methoxy N-[(1R)-2-[(1S,3S,5S)-3-[6-[4-[2-[(1S,3S,5S)-2-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]methanimidate
CID 59539135
[(1R)-2-[(3S,5R)-3-[6-[4-[2-[(3S,5R)-2-[(2R)-2-(carboxyamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]-2,3-dimethylphenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 67530638
[(1R)-2-[(3S,5R)-3-[6-[4-[2-[(3S,5R)-2-[(2R)-2-[carboxy(methyl)amino]-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]-methylcarbamic acid
CID 67530642
methyl N-[(1R)-2-[(2S)-2-[6-[4-[2-[1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67889188
methyl N-[2-[(2S)-2-[6-[4-[2-[(2S)-1-[2-[methoxycarbonyl(propyl)amino]-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-N-propylcarbamate
CID 88486972
[6-[11-[2-[(3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3-[[(2S)-2-amino-3-methylbutanoyl]oxymethyl]benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-2-[(3aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]benzimidazol-1-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 89252201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid (CID 91290423) is (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid is CN1CCN(c2nc3ccccc3n2Cc2ccc([C@@H]3CCCC[C@H]3C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)CC1.CN1CCN(c2nc3ccccc3n2Cc2ccc([C@@H]3CCCC[C@H]3C(=O)O)cc2)CC1.CN1CCNCC1.COC(=O)[C@@H]1CCCC[C@H]1c1ccc(Cn2c(Cl)nc3ccccc32)cc1.COC(=O)[C@@H]1CCCC[C@H]1c1ccc(Cn2c(N3CCN(C)CC3)nc3ccccc32)cc1.NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is XQKAOHTYTLIGAO-QWCLJDAFSA-N. The full InChI is InChI=1S/C34H40N6O2.C27H34N4O2.C26H32N4O2.C22H23ClN2O2.C8H10N2O.C5H12N2/c1-38-19-21-39(22-20-38)34-36-29-13-7-8-14-30(29)40(34)23-24-15-17-25(18-16-24)27-11-5-6-12-28(27)33(42)37-31(32(35)41)26-9-3-2-4-10-26;1-29-15-17-30(18-16-29)27-28-24-9-5-6-10-25(24)31(27)19-20-11-13-21(14-12-20)22-7-3-4-8-23(22)26(32)33-2;1-28-14-16-29(17-15-28)26-27-23-8-4-5-9-24(23)30(26)18-19-10-12-20(13-11-19)21-6-2-3-7-22(21)25(31)32;1-27-21(26)18-7-3-2-6-17(18)16-12-10-15(11-13-16)14-25-20-9-5-4-8-19(20)24-22(25)23;9-7(8(10)11)6-4-2-1-3-5-6;1-7-4-2-6-3-5-7/h2-4,7-10,13-18,27-28,31H,5-6,11-12,19-23H2,1H3,(H2,35,41)(H,37,42);5-6,9-14,22-23H,3-4,7-8,15-19H2,1-2H3;4-5,8-13,21-22H,2-3,6-7,14-18H2,1H3,(H,31,32);4-5,8-13,17-18H,2-3,6-7,14H2,1H3;1-5,7H,9H2,(H2,10,11);6H,2-5H2,1H3/t27-,28+,31-;22-,23+;21-,22+;17-,18+;7-;/m00000./s1.
What are the key properties of (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid?
(2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 2077.13 g/mol, XLogP of 17.81, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91290423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).