6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole

C70H86ClN17 — CID 145424404

IUPAC6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole
SMILESCc1cc(-c2cc(N3CCN(C)CC3)c3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)[nH]c3c2)cnc1[C@@H]1CCC[C@H](c2nc3c(N4CCNCC4)cc(-c4ccnc([C@@H]5CCC[C@H](c6nc7ccccc7n6C6CCN(C)CC6)N5)c4Cl)cc3[nH]2)N1C
InChIInChI=1S/C70H86ClN17/c1-43-13-12-25-73-63(43)56-18-10-20-58(84(56)5)68-77-53-38-45(40-60(65(53)80-68)87-35-33-83(4)34-36-87)47-37-44(2)64(75-42-47)57-19-11-21-59(85(57)6)69-78-54-39-46(41-61(66(54)81-69)86-31-27-72-28-32-86)49-22-26-74-67(62(49)71)51-15-9-16-52(76-51)70-79-50-14-7-8-17-55(50)88(70)48-23-29-82(3)30-24-48/h7-8,12-14,17,22,25-26,37-42,48,51-52,56-59,72,76H,9-11,15-16,18-21,23-24,27-36H2,1-6H3,(H,77,80)(H,78,81)/t51-,52+,56-,57-,58+,59+/m0/s1
InChIKeyMJYAMXLAYKCVLB-GGQFWPOGSA-N
MW1201.03 g/mol
LogP12.36
Rot. Bonds11

About 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole

6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole (PubChem CID 145424404) has the molecular formula C70H86ClN17 and a molecular weight of 1201.03 g/mol. Its IUPAC name is 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole
PubChem CID145424404
Molecular FormulaC70H86ClN17
Molecular Weight1201.03 g/mol
Exact Mass1199.69
IUPAC Name6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole
SMILESCc1cc(-c2cc(N3CCN(C)CC3)c3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)[nH]c3c2)cnc1[C@@H]1CCC[C@H](c2nc3c(N4CCNCC4)cc(-c4ccnc([C@@H]5CCC[C@H](c6nc7ccccc7n6C6CCN(C)CC6)N5)c4Cl)cc3[nH]2)N1C
InChIInChI=1S/C70H86ClN17/c1-43-13-12-25-73-63(43)56-18-10-20-58(84(56)5)68-77-53-38-45(40-60(65(53)80-68)87-35-33-83(4)34-36-87)47-37-44(2)64(75-42-47)57-19-11-21-59(85(57)6)69-78-54-39-46(41-61(66(54)81-69)86-31-27-72-28-32-86)49-22-26-74-67(62(49)71)51-15-9-16-52(76-51)70-79-50-14-7-8-17-55(50)88(70)48-23-29-82(3)30-24-48/h7-8,12-14,17,22,25-26,37-42,48,51-52,56-59,72,76H,9-11,15-16,18-21,23-24,27-36H2,1-6H3,(H,77,80)(H,78,81)/t51-,52+,56-,57-,58+,59+/m0/s1
InChIKeyMJYAMXLAYKCVLB-GGQFWPOGSA-N
XLogP12.36
TPSA157.35 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001201.03
LogP ≤ 512.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole 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-(3H-benzimidazol-5-yl)-6-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 9910390
2-(3H-benzimidazol-5-yl)-6-(6-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 11743266
2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 10477610
3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-9-[4-(4-methylpiperazin-1-yl)butyl]carbazole
CID 118710797
3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine
CID 155521969
3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 155522759
US9650358, Example 63
CID 86298802
US9650358, Example 40
CID 86299647
US9650358, Example 52
CID 86299723
US9650358, Example 226
CID 90412353
US9650358, Example 124
CID 90412790
US9650358, Example 43
CID 90416184

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole?
The IUPAC name of 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole (CID 145424404) is 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole.
What is the SMILES notation for 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole?
The canonical SMILES for 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole is Cc1cc(-c2cc(N3CCN(C)CC3)c3nc([C@H]4CCC[C@@H](c5ncccc5C)N4C)[nH]c3c2)cnc1[C@@H]1CCC[C@H](c2nc3c(N4CCNCC4)cc(-c4ccnc([C@@H]5CCC[C@H](c6nc7ccccc7n6C6CCN(C)CC6)N5)c4Cl)cc3[nH]2)N1C.
What is the InChIKey of 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole?
The InChIKey is MJYAMXLAYKCVLB-GGQFWPOGSA-N. The full InChI is InChI=1S/C70H86ClN17/c1-43-13-12-25-73-63(43)56-18-10-20-58(84(56)5)68-77-53-38-45(40-60(65(53)80-68)87-35-33-83(4)34-36-87)47-37-44(2)64(75-42-47)57-19-11-21-59(85(57)6)69-78-54-39-46(41-61(66(54)81-69)86-31-27-72-28-32-86)49-22-26-74-67(62(49)71)51-15-9-16-52(76-51)70-79-50-14-7-8-17-55(50)88(70)48-23-29-82(3)30-24-48/h7-8,12-14,17,22,25-26,37-42,48,51-52,56-59,72,76H,9-11,15-16,18-21,23-24,27-36H2,1-6H3,(H,77,80)(H,78,81)/t51-,52+,56-,57-,58+,59+/m0/s1.
What are the key properties of 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole?
6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole has a molecular weight of 1201.03 g/mol, XLogP of 12.36, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-2-[(2S,6R)-6-[1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]piperidin-2-yl]-4-pyridinyl]-2-[(2R,6S)-1-methyl-6-[3-methyl-5-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]piperidin-2-yl]-4-piperazin-1-yl-1H-benzimidazole is sourced from PubChem (CID 145424404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).