4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol

C124H127N25O10 — CID 158271002

IUPAC4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)c2cc(O)ccc21.CN(C)CCCn1cc(C2=C(c3cc4ccccc4[nH]3)C(=O)NC2)c2cc(O)ccc21.CN(C)CCCn1cc(C2=C(c3nc4ccccc4[nH]3)C(=O)NC2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(C4=C(c5c[nH]c6ccc(O)cc56)CNC4=O)nc23)CC1.COc1cc(O)ccc1-c1ccc2c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C26H26N6O2.2C25H26N4O2.C24H24N6O2.C24H25N5O2/c1-31-10-12-32(13-11-31)22-5-3-4-20-25(22)28-26(27-20)24-19-8-6-16(14-21(19)29-30-24)18-9-7-17(33)15-23(18)34-2;1-28(2)10-5-11-29-15-21(18-12-16(30)8-9-23(18)29)20-14-27-25(31)24(20)19-13-26-22-7-4-3-6-17(19)22;1-28(2)10-5-11-29-15-20(18-13-17(30)8-9-23(18)29)19-14-26-25(31)24(19)22-12-16-6-3-4-7-21(16)27-22;1-29-7-9-30(10-8-29)20-4-2-3-19-22(20)28-23(27-19)21-17(13-26-24(21)32)16-12-25-18-6-5-14(31)11-15(16)18;1-28(2)10-5-11-29-14-18(16-12-15(30)8-9-21(16)29)17-13-25-24(31)22(17)23-26-19-6-3-4-7-20(19)27-23/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30);3-4,6-9,12-13,15,26,30H,5,10-11,14H2,1-2H3,(H,27,31);3-4,6-9,12-13,15,27,30H,5,10-11,14H2,1-2H3,(H,26,31);2-6,11-12,25,31H,7-10,13H2,1H3,(H,26,32)(H,27,28);3-4,6-9,12,14,30H,5,10-11,13H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyGJAIAEXINRVMPZ-UHFFFAOYSA-N
MW2127.54 g/mol
LogP17.64
Rot. Bonds25

About 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol

4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol (PubChem CID 158271002) has the molecular formula C124H127N25O10 and a molecular weight of 2127.54 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
PubChem CID158271002
Molecular FormulaC124H127N25O10
Molecular Weight2127.54 g/mol
Exact Mass2126.02
IUPAC Name4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)c2cc(O)ccc21.CN(C)CCCn1cc(C2=C(c3cc4ccccc4[nH]3)C(=O)NC2)c2cc(O)ccc21.CN(C)CCCn1cc(C2=C(c3nc4ccccc4[nH]3)C(=O)NC2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(C4=C(c5c[nH]c6ccc(O)cc56)CNC4=O)nc23)CC1.COc1cc(O)ccc1-c1ccc2c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C26H26N6O2.2C25H26N4O2.C24H24N6O2.C24H25N5O2/c1-31-10-12-32(13-11-31)22-5-3-4-20-25(22)28-26(27-20)24-19-8-6-16(14-21(19)29-30-24)18-9-7-17(33)15-23(18)34-2;1-28(2)10-5-11-29-15-21(18-12-16(30)8-9-23(18)29)20-14-27-25(31)24(20)19-13-26-22-7-4-3-6-17(19)22;1-28(2)10-5-11-29-15-20(18-13-17(30)8-9-23(18)29)19-14-26-25(31)24(19)22-12-16-6-3-4-7-21(16)27-22;1-29-7-9-30(10-8-29)20-4-2-3-19-22(20)28-23(27-19)21-17(13-26-24(21)32)16-12-25-18-6-5-14(31)11-15(16)18;1-28(2)10-5-11-29-14-18(16-12-15(30)8-9-21(16)29)17-13-25-24(31)22(17)23-26-19-6-3-4-7-20(19)27-23/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30);3-4,6-9,12-13,15,26,30H,5,10-11,14H2,1-2H3,(H,27,31);3-4,6-9,12-13,15,27,30H,5,10-11,14H2,1-2H3,(H,26,31);2-6,11-12,25,31H,7-10,13H2,1H3,(H,26,32)(H,27,28);3-4,6-9,12,14,30H,5,10-11,13H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyGJAIAEXINRVMPZ-UHFFFAOYSA-N
XLogP17.64
TPSA426.34 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002127.54
LogP ≤ 517.64
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol with MolForge

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Related Compounds

6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-3-methyl-2H-indazole;4-tert-butyl-1-methyl-2-phenoxybenzene;1-[2-(2-hydroxyethyl)-3H-benzimidazol-5-yl]-2-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(5-methyl-1H-imidazol-3-ium-3-yl)phenyl]ethanone
CID 157428022
benzene;1-benzyl-3-methylindole;5-butoxy-3-methyl-1H-indole;1-butoxy-4-propylbenzene;1-butyl-3-methylindole;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;1-ethyl-4-methylindole;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;1-methylanthracene;9-methylanthracene;1-methyl-3,5-diphenylbenzene;4-methyl-2,6-diphenylpyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;4-methyl-1H-indole;8-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyridine;9-methylphenanthrene;3-methylquinoline;3-methyl-1H-quinolin-4-one;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene;2-propylnaphthalene
CID 157562516
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride
CID 158243429
N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
CID 158434591
1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol
CID 158626301
3-(1H-benzimidazol-2-yl)-4-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)pyrrole-2,5-dione;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrole-2,5-dione;6-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]triazol-4-yl]naphthalen-2-ol
CID 158933383
4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane
CID 158963581
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-(pyrrolidin-1-ylmethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-7-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylic acid;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 159053404
7-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;1-[4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 159182272
N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
CID 159233561
6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-3-methyl-2H-indazole;4-tert-butyl-1-methyl-2-phenoxybenzene;1-[2-(2-hydroxyethyl)-3H-benzimidazol-5-yl]-2-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]ethanone
CID 159244213
7-Hydroxy-19-methyl-3-propan-2-yl-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one;19-methyl-3-propan-2-yl-7-pyrimidin-2-yloxy-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one;2-methylpyrimidine
CID 159311764

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol (CID 158271002) is 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol is CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)c2cc(O)ccc21.CN(C)CCCn1cc(C2=C(c3cc4ccccc4[nH]3)C(=O)NC2)c2cc(O)ccc21.CN(C)CCCn1cc(C2=C(c3nc4ccccc4[nH]3)C(=O)NC2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(C4=C(c5c[nH]c6ccc(O)cc56)CNC4=O)nc23)CC1.COc1cc(O)ccc1-c1ccc2c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)n[nH]c2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The InChIKey is GJAIAEXINRVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.2C25H26N4O2.C24H24N6O2.C24H25N5O2/c1-31-10-12-32(13-11-31)22-5-3-4-20-25(22)28-26(27-20)24-19-8-6-16(14-21(19)29-30-24)18-9-7-17(33)15-23(18)34-2;1-28(2)10-5-11-29-15-21(18-12-16(30)8-9-23(18)29)20-14-27-25(31)24(20)19-13-26-22-7-4-3-6-17(19)22;1-28(2)10-5-11-29-15-20(18-13-17(30)8-9-23(18)29)19-14-26-25(31)24(19)22-12-16-6-3-4-7-21(16)27-22;1-29-7-9-30(10-8-29)20-4-2-3-19-22(20)28-23(27-19)21-17(13-26-24(21)32)16-12-25-18-6-5-14(31)11-15(16)18;1-28(2)10-5-11-29-14-18(16-12-15(30)8-9-21(16)29)17-13-25-24(31)22(17)23-26-19-6-3-4-7-20(19)27-23/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30);3-4,6-9,12-13,15,26,30H,5,10-11,14H2,1-2H3,(H,27,31);3-4,6-9,12-13,15,27,30H,5,10-11,14H2,1-2H3,(H,26,31);2-6,11-12,25,31H,7-10,13H2,1H3,(H,26,32)(H,27,28);3-4,6-9,12,14,30H,5,10-11,13H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol has a molecular weight of 2127.54 g/mol, XLogP of 17.64, 25 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 158271002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).