2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole

C65H46N12O4 — CID 91416477

IUPAC2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole
SMILESc1cnnc(C2(c3cnccn3)CNCCN2n2c(C3Oc4ccccc4O3)nc3c(-c4oc5ccccc5c4-c4cc5ccccc5o4)c(C4NCc5ccccc54)c(-c4cc5ccccc5[nH]4)c(-c4n[nH]c5ccccc45)c32)c1
InChIInChI=1S/C65H46N12O4/c1-4-17-40-39(16-1)34-69-58(40)55-54(45-32-37-14-2-7-20-43(37)71-45)56(59-41-18-5-8-21-44(41)73-75-59)61-60(57(55)62-53(42-19-6-10-23-47(42)79-62)50-33-38-15-3-9-22-46(38)78-50)72-63(64-80-48-24-11-12-25-49(48)81-64)77(61)76-31-30-67-36-65(76,51-26-13-27-70-74-51)52-35-66-28-29-68-52/h1-29,32-33,35,58,64,67,69,71H,30-31,34,36H2,(H,73,75)
InChIKeyMGDAPJKDORAGFI-UHFFFAOYSA-N
MW1059.16 g/mol
LogP12.28
Rot. Bonds9

About 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole

2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole (PubChem CID 91416477) has the molecular formula C65H46N12O4 and a molecular weight of 1059.16 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole
PubChem CID91416477
Molecular FormulaC65H46N12O4
Molecular Weight1059.16 g/mol
Exact Mass1058.38
IUPAC Name2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole
SMILESc1cnnc(C2(c3cnccn3)CNCCN2n2c(C3Oc4ccccc4O3)nc3c(-c4oc5ccccc5c4-c4cc5ccccc5o4)c(C4NCc5ccccc54)c(-c4cc5ccccc5[nH]4)c(-c4n[nH]c5ccccc45)c32)c1
InChIInChI=1S/C65H46N12O4/c1-4-17-40-39(16-1)34-69-58(40)55-54(45-32-37-14-2-7-20-43(37)71-45)56(59-41-18-5-8-21-44(41)73-75-59)61-60(57(55)62-53(42-19-6-10-23-47(42)79-62)50-33-38-15-3-9-22-46(38)78-50)72-63(64-80-48-24-11-12-25-49(48)81-64)77(61)76-31-30-67-36-65(76,51-26-13-27-70-74-51)52-35-66-28-29-68-52/h1-29,32-33,35,58,64,67,69,71H,30-31,34,36H2,(H,73,75)
InChIKeyMGDAPJKDORAGFI-UHFFFAOYSA-N
XLogP12.28
TPSA185.89 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001059.16
LogP ≤ 512.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylic acid;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160851026
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160869634
5-[5-[4-[3-[4-[5-[3-[4-(1H-indazol-3-yl)-1,3-benzodioxol-2-yl]-1H-indol-2-yl]-1H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-4-[5-pyrimidin-2-yl-3-(1H-tetrazol-5-yl)-4-(1H-triazol-5-yl)-2-pyridinyl]oxadiazole
CID 91504587
6-(2,3-dihydro-1H-isoindol-1-yl)-4-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-7-[3-[3-[4-[2-(3-pyridazin-3-ylpyrazin-2-yl)piperazin-1-yl]-1,3-benzodioxol-2-yl]-2,3-dihydro-1-benzofuran-2-yl]-1-benzofuran-2-yl]-1H-benzimidazole
CID 91804397
7-[3-(2,3-dihydro-1-benzofuran-2-yl)-1-benzofuran-2-yl]-6-(2,3-dihydro-1H-isoindol-1-yl)-4-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-1H-benzimidazole
CID 91806154
3-[7-(1H-benzimidazol-2-yl)-5,6-bis(1-benzofuran-2-yl)-3-cinnolin-3-yl-1-(1H-imidazol-2-yl)indazol-4-yl]cinnoline
CID 141425928
1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazol-7-yl]ethanone;1-[5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazol-4-yl]ethanone;1-[6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2H-indazol-7-yl]ethanone
CID 157263508
5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
CID 159382757
2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide
CID 162186748

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole?
The IUPAC name of 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole (CID 91416477) is 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole is c1cnnc(C2(c3cnccn3)CNCCN2n2c(C3Oc4ccccc4O3)nc3c(-c4oc5ccccc5c4-c4cc5ccccc5o4)c(C4NCc5ccccc54)c(-c4cc5ccccc5[nH]4)c(-c4n[nH]c5ccccc45)c32)c1.
What is the InChIKey of 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole?
The InChIKey is MGDAPJKDORAGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N12O4/c1-4-17-40-39(16-1)34-69-58(40)55-54(45-32-37-14-2-7-20-43(37)71-45)56(59-41-18-5-8-21-44(41)73-75-59)61-60(57(55)62-53(42-19-6-10-23-47(42)79-62)50-33-38-15-3-9-22-46(38)78-50)72-63(64-80-48-24-11-12-25-49(48)81-64)77(61)76-31-30-67-36-65(76,51-26-13-27-70-74-51)52-35-66-28-29-68-52/h1-29,32-33,35,58,64,67,69,71H,30-31,34,36H2,(H,73,75).
What are the key properties of 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole?
2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole has a molecular weight of 1059.16 g/mol, XLogP of 12.28, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-2-yl)-4-[3-(1-benzofuran-2-yl)-1-benzofuran-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-1-(2-pyrazin-2-yl-2-pyridazin-3-ylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 91416477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).