[6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium

C14H7F2N2OTl — CID 143629701

IUPAC[6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium
SMILESO=Cc1ccc(-c2ccc3ncn([Tl])c3c2)c(F)c1F
InChIInChI=1S/C14H8F2N2O.Tl/c15-13-9(6-19)1-3-10(14(13)16)8-2-4-11-12(5-8)18-7-17-11;/h1-7H,(H,17,18,19);/q;+1/p-1
InChIKeyJLIFFXDDYPQJQU-UHFFFAOYSA-M
MW461.60 g/mol
LogP2.73
Rot. Bonds2

About [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium

[6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium (PubChem CID 143629701) has the molecular formula C14H7F2N2OTl and a molecular weight of 461.60 g/mol. Its IUPAC name is [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium.

Molecular Properties

Compound Name[6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium
PubChem CID143629701
Molecular FormulaC14H7F2N2OTl
Molecular Weight461.60 g/mol
Exact Mass462.03
IUPAC Name[6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium
SMILESO=Cc1ccc(-c2ccc3ncn([Tl])c3c2)c(F)c1F
InChIInChI=1S/C14H8F2N2O.Tl/c15-13-9(6-19)1-3-10(14(13)16)8-2-4-11-12(5-8)18-7-17-11;/h1-7H,(H,17,18,19);/q;+1/p-1
InChIKeyJLIFFXDDYPQJQU-UHFFFAOYSA-M
XLogP2.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-fluoro-4-formylphenyl)benzimidazol-1-yl]thallium
CID 143629688
[6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium
CID 143629679
(6-methylbenzimidazol-1-yl)thallium
CID 142243531
2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474411
4-(3-tritylbenzimidazol-5-yl)naphthalene-1-carbaldehyde
CID 87471249
2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde
CID 146422717
2-fluoro-4-(3-tritylbenzimidazol-5-yl)benzaldehyde
CID 87471236
4-(1,4-dimethylbenzimidazol-5-yl)-2-fluorobenzaldehyde
CID 59474635
2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
CID 114270433
1-propan-2-yl-5-(2,3,4-trifluorophenyl)indole-3-carbaldehyde
CID 86685273
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde
CID 106763198
[5-(4-formylphenyl)-7-methylbenzimidazol-1-yl]thallium
CID 143629638

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium?
The IUPAC name of [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium (CID 143629701) is [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium.
What is the SMILES notation for [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium?
The canonical SMILES for [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium is O=Cc1ccc(-c2ccc3ncn([Tl])c3c2)c(F)c1F.
What is the InChIKey of [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium?
The InChIKey is JLIFFXDDYPQJQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8F2N2O.Tl/c15-13-9(6-19)1-3-10(14(13)16)8-2-4-11-12(5-8)18-7-17-11;/h1-7H,(H,17,18,19);/q;+1/p-1.
What are the key properties of [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium?
[6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium has a molecular weight of 461.60 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium is sourced from PubChem (CID 143629701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).