4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole

C60H32F8I8N8O4 — CID 157334052

IUPAC4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole
SMILESFc1cc2[nH]ccc2c(F)c1I.Fc1cc2[nH]cnc2c(F)c1I.Fc1cc2ccoc2c(F)c1I.Fc1cc2ncoc2c(F)c1I.Ic1ccc2[nH]ccc2c1.Ic1ccc2ccoc2c1.Ic1ccc2nc[nH]c2c1.Ic1ccc2ncoc2c1
InChIInChI=1S/C8H4F2IN.C8H3F2IO.C8H6IN.C8H5IO.C7H3F2IN2.C7H2F2INO.C7H5IN2.C7H4INO/c9-5-3-6-4(1-2-12-6)7(10)8(5)11;9-5-3-4-1-2-12-8(4)6(10)7(5)11;9-7-1-2-8-6(5-7)3-4-10-8;9-7-2-1-6-3-4-10-8(6)5-7;2*8-3-1-4-7(12-2-11-4)5(9)6(3)10;2*8-5-1-2-6-7(3-5)10-4-9-6/h1-3,12H;1-3H;1-5,10H;1-5H;1-2H,(H,11,12);1-2H;1-4H,(H,9,10);1-4H
InChIKeyBFPXADKGQCNBNG-UHFFFAOYSA-N
MW2096.18 g/mol
LogP21.93
Rot. Bonds

About 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole

4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole (PubChem CID 157334052) has the molecular formula C60H32F8I8N8O4 and a molecular weight of 2096.18 g/mol. Its IUPAC name is 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole.

Molecular Properties

Compound Name4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole
PubChem CID157334052
Molecular FormulaC60H32F8I8N8O4
Molecular Weight2096.18 g/mol
Exact Mass2095.48
IUPAC Name4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole
SMILESFc1cc2[nH]ccc2c(F)c1I.Fc1cc2[nH]cnc2c(F)c1I.Fc1cc2ccoc2c(F)c1I.Fc1cc2ncoc2c(F)c1I.Ic1ccc2[nH]ccc2c1.Ic1ccc2ccoc2c1.Ic1ccc2nc[nH]c2c1.Ic1ccc2ncoc2c1
InChIInChI=1S/C8H4F2IN.C8H3F2IO.C8H6IN.C8H5IO.C7H3F2IN2.C7H2F2INO.C7H5IN2.C7H4INO/c9-5-3-6-4(1-2-12-6)7(10)8(5)11;9-5-3-4-1-2-12-8(4)6(10)7(5)11;9-7-1-2-8-6(5-7)3-4-10-8;9-7-2-1-6-3-4-10-8(6)5-7;2*8-3-1-4-7(12-2-11-4)5(9)6(3)10;2*8-5-1-2-6-7(3-5)10-4-9-6/h1-3,12H;1-3H;1-5,10H;1-5H;1-2H,(H,11,12);1-2H;1-4H,(H,9,10);1-4H
InChIKeyBFPXADKGQCNBNG-UHFFFAOYSA-N
XLogP21.93
TPSA167.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002096.18
LogP ≤ 521.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole with MolForge

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Related Compounds

5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide
CID 126494873
5-[3-fluoro-5-[3-[2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 126494875
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;2,3-dimethyl-1-(2-methylphenyl)pyrazol-1-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium
CID 158510048
1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole
CID 19833308
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-(1H-benzimidazol-2-ylmethyl)-N-[[4-(1H-imidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 87523383
N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane
CID 145233756
2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3H-benzimidazol-1-ium-1-yl]-N,N-dimethylacetamide;2-[7-(2,4-difluorophenoxy)-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide
CID 157271326
4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;1-methyl-2-propan-2-ylbenzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-quinolin-4-one
CID 157648614
methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-3H-quinolin-4-one;8-propan-2-yl-3H-quinolin-4-one
CID 157870120
1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline
CID 158190381
3-Methyl-2-[1-methyl-6-(1-methylbenzimidazol-2-yl)pyridin-1-ium-2-yl]-1,3-benzoxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylimidazol-2-yl)pyridin-1-ium-2-yl]-1,3-benzoxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-benzoxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-benzoxazol-3-ium
CID 158539475
anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole
CID 158585495

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole?
The IUPAC name of 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole (CID 157334052) is 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole.
What is the SMILES notation for 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole?
The canonical SMILES for 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole is Fc1cc2[nH]ccc2c(F)c1I.Fc1cc2[nH]cnc2c(F)c1I.Fc1cc2ccoc2c(F)c1I.Fc1cc2ncoc2c(F)c1I.Ic1ccc2[nH]ccc2c1.Ic1ccc2ccoc2c1.Ic1ccc2nc[nH]c2c1.Ic1ccc2ncoc2c1.
What is the InChIKey of 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole?
The InChIKey is BFPXADKGQCNBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2IN.C8H3F2IO.C8H6IN.C8H5IO.C7H3F2IN2.C7H2F2INO.C7H5IN2.C7H4INO/c9-5-3-6-4(1-2-12-6)7(10)8(5)11;9-5-3-4-1-2-12-8(4)6(10)7(5)11;9-7-1-2-8-6(5-7)3-4-10-8;9-7-2-1-6-3-4-10-8(6)5-7;2*8-3-1-4-7(12-2-11-4)5(9)6(3)10;2*8-5-1-2-6-7(3-5)10-4-9-6/h1-3,12H;1-3H;1-5,10H;1-5H;1-2H,(H,11,12);1-2H;1-4H,(H,9,10);1-4H.
What are the key properties of 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole?
4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole has a molecular weight of 2096.18 g/mol, XLogP of 21.93, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-iodo-1H-benzimidazole;5,7-difluoro-6-iodo-1-benzofuran;5,7-difluoro-6-iodo-1,3-benzoxazole;4,6-difluoro-5-iodo-1H-indole;6-iodo-1H-benzimidazole;6-iodo-1-benzofuran;6-iodo-1,3-benzoxazole;5-iodo-1H-indole is sourced from PubChem (CID 157334052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).