1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)

C33H26F2N4OPt — CID 59342002

IUPAC1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)
SMILESCC(=O)c1c(F)c[c-]c(C(C)(C)c2cccc3c2nc(-c2cccc(-c4[c-]c5ccccc5n4C)n2)n3C)c1F.[Pt+2]
InChIInChI=1S/C33H26F2N4O.Pt/c1-19(40)29-23(34)17-16-21(30(29)35)33(2,3)22-11-8-15-27-31(22)37-32(39(27)5)25-13-9-12-24(36-25)28-18-20-10-6-7-14-26(20)38(28)4;/h6-15,17H,1-5H3;/q-2;+2
InChIKeyNEIXNRRKIKZELD-UHFFFAOYSA-N
MW727.67 g/mol
LogP7.20
Rot. Bonds5

About 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)

1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+) (PubChem CID 59342002) has the molecular formula C33H26F2N4OPt and a molecular weight of 727.67 g/mol. Its IUPAC name is 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+).

Molecular Properties

Compound Name1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)
PubChem CID59342002
Molecular FormulaC33H26F2N4OPt
Molecular Weight727.67 g/mol
Exact Mass727.17
IUPAC Name1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)
SMILESCC(=O)c1c(F)c[c-]c(C(C)(C)c2cccc3c2nc(-c2cccc(-c4[c-]c5ccccc5n4C)n2)n3C)c1F.[Pt+2]
InChIInChI=1S/C33H26F2N4O.Pt/c1-19(40)29-23(34)17-16-21(30(29)35)33(2,3)22-11-8-15-27-31(22)37-32(39(27)5)25-13-9-12-24(36-25)28-18-20-10-6-7-14-26(20)38(28)4;/h6-15,17H,1-5H3;/q-2;+2
InChIKeyNEIXNRRKIKZELD-UHFFFAOYSA-N
XLogP7.20
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.67
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)?
The IUPAC name of 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+) (CID 59342002) is 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+).
What is the SMILES notation for 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)?
The canonical SMILES for 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+) is CC(=O)c1c(F)c[c-]c(C(C)(C)c2cccc3c2nc(-c2cccc(-c4[c-]c5ccccc5n4C)n2)n3C)c1F.[Pt+2].
What is the InChIKey of 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)?
The InChIKey is NEIXNRRKIKZELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F2N4O.Pt/c1-19(40)29-23(34)17-16-21(30(29)35)33(2,3)22-11-8-15-27-31(22)37-32(39(27)5)25-13-9-12-24(36-25)28-18-20-10-6-7-14-26(20)38(28)4;/h6-15,17H,1-5H3;/q-2;+2.
What are the key properties of 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+)?
1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+) has a molecular weight of 727.67 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-3-[2-[1-methyl-2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]benzimidazol-4-yl]propan-2-yl]benzene-4-id-1-yl]ethanone;platinum(2+) is sourced from PubChem (CID 59342002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).