2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide

C56H37Ir5N18OS-5 — CID 159983672

IUPAC2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
SMILESCn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.O=c1cc[n-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncncn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C15H11N4.C11H7N4.C10H6N5.C10H6N3S.C10H8N2O.5Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)14-10(15-8)9-12-5-11-6-13-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;;/h2-9H,1H3;1-7H;1-6H;1-6H;1-7H,(H,12,13);;;;;/q4*-1;;;;;;/p-1
InChIKeyWWNYSJWASJDHDQ-UHFFFAOYSA-M
MW1971.19 g/mol
LogP8.81
Rot. Bonds5

About 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide

2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide (PubChem CID 159983672) has the molecular formula C56H37Ir5N18OS-5 and a molecular weight of 1971.19 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide.

Molecular Properties

Compound Name2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
PubChem CID159983672
Molecular FormulaC56H37Ir5N18OS-5
Molecular Weight1971.19 g/mol
Exact Mass1974.13
IUPAC Name2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
SMILESCn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.O=c1cc[n-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncncn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C15H11N4.C11H7N4.C10H6N5.C10H6N3S.C10H8N2O.5Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)14-10(15-8)9-12-5-11-6-13-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;;/h2-9H,1H3;1-7H;1-6H;1-6H;1-7H,(H,12,13);;;;;/q4*-1;;;;;;/p-1
InChIKeyWWNYSJWASJDHDQ-UHFFFAOYSA-M
XLogP8.81
TPSA247.18 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001971.19
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide with MolForge

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Related Compounds

CID 157542614
CID 157542614
2-(Benzimidazol-1-id-2-yl)-1,3-oxazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide
CID 158415960
2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 158533858
CID 158822657
CID 158822657
CID 159270648
CID 159270648
1,2-Dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine
CID 159325579
3,12-Dimethyl-8,17-diphenyl-3,6,8,12,15,17,20,22-octaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11(20),13,15-octaene;4-methyl-8,13,17-triphenyl-4,8,13,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3-phenyl-8,13,17-trithia-3,6,15,20,22-pentaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;tetrakis(platinum(2+));3,8,13,17-tetraphenyl-3,6,8,13,15,17,20,22-octaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene
CID 159424440
2-(Benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide
CID 159808546
4-(Benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 160589730
CID 160591913
CID 160591913
2-(Benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 161447710
3,12-Dimethyl-8,17-diphenyl-3,6,8,12,15,17,20,22-octaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11(20),13,15-octaene;3-phenyl-8,13,17-trithia-3,6,15,20,22-pentaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;tris(platinum(2+));3,8,13,17-tetraphenyl-3,6,8,13,15,17,20,22-octaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene
CID 161689531

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?
The IUPAC name of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide (CID 159983672) is 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide.
What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?
The canonical SMILES for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide is Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.O=c1cc[n-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncncn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?
The InChIKey is WWNYSJWASJDHDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N4.C11H7N4.C10H6N5.C10H6N3S.C10H8N2O.5Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)14-10(15-8)9-12-5-11-6-13-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;;/h2-9H,1H3;1-7H;1-6H;1-6H;1-7H,(H,12,13);;;;;/q4*-1;;;;;;/p-1.
What are the key properties of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?
2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide has a molecular weight of 1971.19 g/mol, XLogP of 8.81, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide is sourced from PubChem (CID 159983672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).