2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum

C140H105N20O5Pt5-5 — CID 157210383

IUPAC2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum
SMILESCC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(C#N)ccn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccc(C#N)cn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C#N)c3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ncccc4C#N)ccc3)cccc21.[C-]#[N+]c1cccc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4C(C)C)ccc2)n1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/5C28H21N4O.5Pt/c1-18(2)32-24-14-7-12-21(27(24)31-28(32)22-11-4-5-15-25(22)33)19-9-6-10-20(17-19)23-13-8-16-26(29-3)30-23;1-18(2)32-24-13-6-12-22(27(24)31-28(32)23-11-3-4-14-25(23)33)19-8-5-9-20(16-19)26-21(17-29)10-7-15-30-26;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(15-20)24-14-13-19(16-29)17-30-24;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(16-20)24-15-19(17-29)13-14-30-24;1-18(2)32-25-11-7-9-22(27(25)31-28(32)23-8-3-4-12-26(23)33)20-14-19(17-29)15-21(16-20)24-10-5-6-13-30-24;;;;;/h4-16,18,33H,1-2H3;3-15,18,33H,1-2H3;3-14,17-18,33H,1-2H3;2*3-15,18,33H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyUYGGZWURVCATAP-UHFFFAOYSA-N
MW3122.90 g/mol
LogP32.62
Rot. Bonds20

About 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum

2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum (PubChem CID 157210383) has the molecular formula C140H105N20O5Pt5-5 and a molecular weight of 3122.90 g/mol. Its IUPAC name is 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum
PubChem CID157210383
Molecular FormulaC140H105N20O5Pt5-5
Molecular Weight3122.90 g/mol
Exact Mass3120.68
IUPAC Name2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum
SMILESCC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(C#N)ccn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccc(C#N)cn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C#N)c3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ncccc4C#N)ccc3)cccc21.[C-]#[N+]c1cccc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4C(C)C)ccc2)n1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/5C28H21N4O.5Pt/c1-18(2)32-24-14-7-12-21(27(24)31-28(32)22-11-4-5-15-25(22)33)19-9-6-10-20(17-19)23-13-8-16-26(29-3)30-23;1-18(2)32-24-13-6-12-22(27(24)31-28(32)23-11-3-4-14-25(23)33)19-8-5-9-20(16-19)26-21(17-29)10-7-15-30-26;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(15-20)24-14-13-19(16-29)17-30-24;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(16-20)24-15-19(17-29)13-14-30-24;1-18(2)32-25-11-7-9-22(27(25)31-28(32)23-8-3-4-12-26(23)33)20-14-19(17-29)15-21(16-20)24-10-5-6-13-30-24;;;;;/h4-16,18,33H,1-2H3;3-15,18,33H,1-2H3;3-14,17-18,33H,1-2H3;2*3-15,18,33H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyUYGGZWURVCATAP-UHFFFAOYSA-N
XLogP32.62
TPSA354.22 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003122.90
LogP ≤ 532.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum with MolForge

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Related Compounds

CID 157462522
CID 157462522
CID 157617296
CID 157617296
CID 158157518
CID 158157518
CID 158239006
CID 158239006
CID 158431192
CID 158431192
CID 158636196
CID 158636196
CID 159096807
CID 159096807
CID 159570252
CID 159570252
CID 159810756
CID 159810756
CID 159881570
CID 159881570
CID 159980703
CID 159980703
CID 160984416
CID 160984416

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum (CID 157210383) is 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum is CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(C#N)ccn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccc(C#N)cn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C#N)c3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ncccc4C#N)ccc3)cccc21.[C-]#[N+]c1cccc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4C(C)C)ccc2)n1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum?
The InChIKey is UYGGZWURVCATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C28H21N4O.5Pt/c1-18(2)32-24-14-7-12-21(27(24)31-28(32)22-11-4-5-15-25(22)33)19-9-6-10-20(17-19)23-13-8-16-26(29-3)30-23;1-18(2)32-24-13-6-12-22(27(24)31-28(32)23-11-3-4-14-25(23)33)19-8-5-9-20(16-19)26-21(17-29)10-7-15-30-26;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(15-20)24-14-13-19(16-29)17-30-24;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(16-20)24-15-19(17-29)13-14-30-24;1-18(2)32-25-11-7-9-22(27(25)31-28(32)23-8-3-4-12-26(23)33)20-14-19(17-29)15-21(16-20)24-10-5-6-13-30-24;;;;;/h4-16,18,33H,1-2H3;3-15,18,33H,1-2H3;3-14,17-18,33H,1-2H3;2*3-15,18,33H,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum?
2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 3122.90 g/mol, XLogP of 32.62, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157210383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).