4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one

C150H186N26O16S4 — CID 158489605

IUPAC4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one
SMILESCCc1nc(N2CCC(C3CCN(C(=O)c4ccc(-c5nc6ccccc6[nH]5)cc4)CC3)CC2)sc1C(=O)CCCOCCOCCN.CCc1nc(N2CCC(C3CCN(C(=O)c4ccc5nc(-c6ccccc6)[nH]c5c4)CC3)CC2)sc1C(=O)CCCOCCOCCN.NCCOCCOCCNC(=O)c1ccc2nc(N3CCC(C4CCN(C(=O)c5ccc(-c6nc7ccccc7[nH]6)cc5)CC4)CC3)sc2c1.NCCOCCOCCNC(=O)c1ccc2nc(N3CCC(C4CCN(C(=O)c5ccc6nc(-c7ccccc7)[nH]c6c5)CC4)CC3)sc2c1
InChIInChI=1S/2C38H45N7O4S.2C37H48N6O4S/c39-15-21-48-23-24-49-22-16-40-36(46)30-9-10-33-34(25-30)50-38(43-33)45-19-13-27(14-20-45)26-11-17-44(18-12-26)37(47)29-7-5-28(6-8-29)35-41-31-3-1-2-4-32(31)42-35;39-14-20-48-22-23-49-21-15-40-36(46)29-6-9-32-34(25-29)50-38(43-32)45-18-12-27(13-19-45)26-10-16-44(17-11-26)37(47)30-7-8-31-33(24-30)42-35(41-31)28-4-2-1-3-5-28;1-2-30-34(33(44)8-5-22-46-24-25-47-23-17-38)48-37(41-30)43-20-15-27(16-21-43)26-13-18-42(19-14-26)36(45)29-11-9-28(10-12-29)35-39-31-6-3-4-7-32(31)40-35;1-2-30-34(33(44)9-6-21-46-23-24-47-22-16-38)48-37(41-30)43-19-14-27(15-20-43)26-12-17-42(18-13-26)36(45)29-10-11-31-32(25-29)40-35(39-31)28-7-4-3-5-8-28/h1-10,25-27H,11-24,39H2,(H,40,46)(H,41,42);1-9,24-27H,10-23,39H2,(H,40,46)(H,41,42);3-4,6-7,9-12,26-27H,2,5,8,13-25,38H2,1H3,(H,39,40);3-5,7-8,10-11,25-27H,2,6,9,12-24,38H2,1H3,(H,39,40)
InChIKeyHINNJFXRDLIYKS-UHFFFAOYSA-N
MW2737.57 g/mol
LogP22.60
Rot. Bonds56

About 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one

4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one (PubChem CID 158489605) has the molecular formula C150H186N26O16S4 and a molecular weight of 2737.57 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one.

Molecular Properties

Compound Name4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one
PubChem CID158489605
Molecular FormulaC150H186N26O16S4
Molecular Weight2737.57 g/mol
Exact Mass2735.34
IUPAC Name4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one
SMILESCCc1nc(N2CCC(C3CCN(C(=O)c4ccc(-c5nc6ccccc6[nH]5)cc4)CC3)CC2)sc1C(=O)CCCOCCOCCN.CCc1nc(N2CCC(C3CCN(C(=O)c4ccc5nc(-c6ccccc6)[nH]c5c4)CC3)CC2)sc1C(=O)CCCOCCOCCN.NCCOCCOCCNC(=O)c1ccc2nc(N3CCC(C4CCN(C(=O)c5ccc(-c6nc7ccccc7[nH]6)cc5)CC4)CC3)sc2c1.NCCOCCOCCNC(=O)c1ccc2nc(N3CCC(C4CCN(C(=O)c5ccc6nc(-c7ccccc7)[nH]c6c5)CC4)CC3)sc2c1
InChIInChI=1S/2C38H45N7O4S.2C37H48N6O4S/c39-15-21-48-23-24-49-22-16-40-36(46)30-9-10-33-34(25-30)50-38(43-33)45-19-13-27(14-20-45)26-11-17-44(18-12-26)37(47)29-7-5-28(6-8-29)35-41-31-3-1-2-4-32(31)42-35;39-14-20-48-22-23-49-21-15-40-36(46)29-6-9-32-34(25-29)50-38(43-32)45-18-12-27(13-19-45)26-10-16-44(17-11-26)37(47)30-7-8-31-33(24-30)42-35(41-31)28-4-2-1-3-5-28;1-2-30-34(33(44)8-5-22-46-24-25-47-23-17-38)48-37(41-30)43-20-15-27(16-21-43)26-13-18-42(19-14-26)36(45)29-11-9-28(10-12-29)35-39-31-6-3-4-7-32(31)40-35;1-2-30-34(33(44)9-6-21-46-23-24-47-22-16-38)48-37(41-30)43-19-14-27(15-20-43)26-12-17-42(18-13-26)36(45)29-10-11-31-32(25-29)40-35(39-31)28-7-4-3-5-8-28/h1-10,25-27H,11-24,39H2,(H,40,46)(H,41,42);1-9,24-27H,10-23,39H2,(H,40,46)(H,41,42);3-4,6-7,9-12,26-27H,2,5,8,13-25,38H2,1H3,(H,39,40);3-5,7-8,10-11,25-27H,2,6,9,12-24,38H2,1H3,(H,39,40)
InChIKeyHINNJFXRDLIYKS-UHFFFAOYSA-N
XLogP22.60
TPSA530.74 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds56
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002737.57
LogP ≤ 522.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one with MolForge

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide
CID 117995461
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide
CID 117995603
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)-4-piperidin-4-ylpiperidin-1-ium-1-yl]-1,3-benzothiazole-6-carboxamide
CID 117995748
2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one
CID 159621640
2-[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]indole-5,7-dione;6-(1-methylpiperidin-4-yl)-2-[2-oxo-4-(1-thiophen-2-ylpropan-2-ylamino)-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[2-oxo-4-(1-thiophen-2-ylpropan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
CID 160072555
CID 160118055
CID 160118055
tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one
CID 169427483
4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one
CID 158489607

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one?
The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one (CID 158489605) is 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one.
What is the SMILES notation for 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one?
The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one is CCc1nc(N2CCC(C3CCN(C(=O)c4ccc(-c5nc6ccccc6[nH]5)cc4)CC3)CC2)sc1C(=O)CCCOCCOCCN.CCc1nc(N2CCC(C3CCN(C(=O)c4ccc5nc(-c6ccccc6)[nH]c5c4)CC3)CC2)sc1C(=O)CCCOCCOCCN.NCCOCCOCCNC(=O)c1ccc2nc(N3CCC(C4CCN(C(=O)c5ccc(-c6nc7ccccc7[nH]6)cc5)CC4)CC3)sc2c1.NCCOCCOCCNC(=O)c1ccc2nc(N3CCC(C4CCN(C(=O)c5ccc6nc(-c7ccccc7)[nH]c6c5)CC4)CC3)sc2c1.
What is the InChIKey of 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one?
The InChIKey is HINNJFXRDLIYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H45N7O4S.2C37H48N6O4S/c39-15-21-48-23-24-49-22-16-40-36(46)30-9-10-33-34(25-30)50-38(43-33)45-19-13-27(14-20-45)26-11-17-44(18-12-26)37(47)29-7-5-28(6-8-29)35-41-31-3-1-2-4-32(31)42-35;39-14-20-48-22-23-49-21-15-40-36(46)29-6-9-32-34(25-29)50-38(43-32)45-18-12-27(13-19-45)26-10-16-44(17-11-26)37(47)30-7-8-31-33(24-30)42-35(41-31)28-4-2-1-3-5-28;1-2-30-34(33(44)8-5-22-46-24-25-47-23-17-38)48-37(41-30)43-20-15-27(16-21-43)26-13-18-42(19-14-26)36(45)29-11-9-28(10-12-29)35-39-31-6-3-4-7-32(31)40-35;1-2-30-34(33(44)9-6-21-46-23-24-47-22-16-38)48-37(41-30)43-19-14-27(15-20-43)26-12-17-42(18-13-26)36(45)29-10-11-31-32(25-29)40-35(39-31)28-7-4-3-5-8-28/h1-10,25-27H,11-24,39H2,(H,40,46)(H,41,42);1-9,24-27H,10-23,39H2,(H,40,46)(H,41,42);3-4,6-7,9-12,26-27H,2,5,8,13-25,38H2,1H3,(H,39,40);3-5,7-8,10-11,25-27H,2,6,9,12-24,38H2,1H3,(H,39,40).
What are the key properties of 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one?
4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one has a molecular weight of 2737.57 g/mol, XLogP of 22.60, 56 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethoxy)ethoxy]-1-[2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]butan-1-one;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzothiazole-6-carboxamide;4-[2-(2-aminoethoxy)ethoxy]-1-[4-ethyl-2-[4-[1-(2-phenyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazol-5-yl]butan-1-one is sourced from PubChem (CID 158489605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).