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

C46H32N6O2 — CID 91806154

IUPAC7-[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
SMILESc1ccc2c(c1)CC(c1c(-c3c(C4NCc5ccccc54)c(-c4cc5ccccc5[nH]4)c(-c4n[nH]c5ccccc45)c4nc[nH]c34)oc3ccccc13)O2
InChIInChI=1S/C46H32N6O2/c1-4-14-28-27(13-1)23-47-42(28)39-38(33-21-25-11-2-7-17-31(25)50-33)40(43-29-15-5-8-18-32(29)51-52-43)44-45(49-24-48-44)41(39)46-37(30-16-6-10-20-35(30)54-46)36-22-26-12-3-9-19-34(26)53-36/h1-21,24,36,42,47,50H,22-23H2,(H,48,49)(H,51,52)
InChIKeyJNITTWQKNCJMAD-UHFFFAOYSA-N
MW700.80 g/mol
LogP10.54
Rot. Bonds5

About 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

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 (PubChem CID 91806154) has the molecular formula C46H32N6O2 and a molecular weight of 700.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID91806154
Molecular FormulaC46H32N6O2
Molecular Weight700.80 g/mol
Exact Mass700.26
IUPAC Name7-[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
SMILESc1ccc2c(c1)CC(c1c(-c3c(C4NCc5ccccc54)c(-c4cc5ccccc5[nH]4)c(-c4n[nH]c5ccccc45)c4nc[nH]c34)oc3ccccc13)O2
InChIInChI=1S/C46H32N6O2/c1-4-14-28-27(13-1)23-47-42(28)39-38(33-21-25-11-2-7-17-31(25)50-33)40(43-29-15-5-8-18-32(29)51-52-43)44-45(49-24-48-44)41(39)46-37(30-16-6-10-20-35(30)54-46)36-22-26-12-3-9-19-34(26)53-36/h1-21,24,36,42,47,50H,22-23H2,(H,48,49)(H,51,52)
InChIKeyJNITTWQKNCJMAD-UHFFFAOYSA-N
XLogP10.54
TPSA107.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.80
LogP ≤ 510.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide
CID 167555498
1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole
CID 91138482
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
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
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137099571
2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline
CID 141084050
4-[7-(1H-benzimidazol-2-yl)-6-dibenzofuran-1-yl-5-(furan-2-yl)-3-(1H-indol-2-yl)-2H-isoindol-1-yl]-1H-benzotriazole
CID 141113478
4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
CID 141113485
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-2-dibenzofuran-1-yl-4-(1H-pyrrol-2-yl)-5-(1H-triazol-4-yl)-1H-benzimidazole
CID 141113494
3-[2-(1-benzofuran-2-yl)-3-(2,1,3-benzoxadiazol-4-yl)-4-(1H-indazol-3-yl)-6-(1H-pyrrol-2-yl)phenyl]-1H-benzimidazol-2-one
CID 141137452
6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-1-(1H-indol-2-yl)-7-(2H-isoindol-1-yl)benzotriazole
CID 141149983
2-[2-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)dibenzofuran-3-yl]quinoline
CID 141179424

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)CC(c1c(-c3c(C4NCc5ccccc54)c(-c4cc5ccccc5[nH]4)c(-c4n[nH]c5ccccc45)c4nc[nH]c34)oc3ccccc13)O2.
What is the InChIKey of 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?
The InChIKey is JNITTWQKNCJMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N6O2/c1-4-14-28-27(13-1)23-47-42(28)39-38(33-21-25-11-2-7-17-31(25)50-33)40(43-29-15-5-8-18-32(29)51-52-43)44-45(49-24-48-44)41(39)46-37(30-16-6-10-20-35(30)54-46)36-22-26-12-3-9-19-34(26)53-36/h1-21,24,36,42,47,50H,22-23H2,(H,48,49)(H,51,52).
What are the key properties of 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?
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 has a molecular weight of 700.80 g/mol, XLogP of 10.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91806154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).