[6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium

C19H13N2OTl — CID 143629679

IUPAC[6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium
SMILESCc1cc2ncn([Tl])c2cc1-c1ccc(C=O)c2ccccc12
InChIInChI=1S/C19H14N2O.Tl/c1-12-8-18-19(21-11-20-18)9-17(12)16-7-6-13(10-22)14-4-2-3-5-15(14)16;/h2-11H,1H3,(H,20,21,22);/q;+1/p-1
InChIKeyGVPGDYLGFNDWIC-UHFFFAOYSA-M
MW489.71 g/mol
LogP3.91
Rot. Bonds2

About [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium

[6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium (PubChem CID 143629679) has the molecular formula C19H13N2OTl and a molecular weight of 489.71 g/mol. Its IUPAC name is [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium.

Molecular Properties

Compound Name[6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium
PubChem CID143629679
Molecular FormulaC19H13N2OTl
Molecular Weight489.71 g/mol
Exact Mass490.08
IUPAC Name[6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium
SMILESCc1cc2ncn([Tl])c2cc1-c1ccc(C=O)c2ccccc12
InChIInChI=1S/C19H14N2O.Tl/c1-12-8-18-19(21-11-20-18)9-17(12)16-7-6-13(10-22)14-4-2-3-5-15(14)16;/h2-11H,1H3,(H,20,21,22);/q;+1/p-1
InChIKeyGVPGDYLGFNDWIC-UHFFFAOYSA-M
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.71
LogP ≤ 53.91
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

[6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium
CID 143629701
(6-methylbenzimidazol-1-yl)thallium
CID 142243531
[5-(3-fluoro-4-formylphenyl)benzimidazol-1-yl]thallium
CID 143629688
4-(3-tritylbenzimidazol-5-yl)naphthalene-1-carbaldehyde
CID 87471249
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
4-chloro-2-(5,6-dimethylbenzimidazol-1-yl)benzaldehyde
CID 114844606
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
[5-(4-formylphenyl)-7-methylbenzimidazol-1-yl]thallium
CID 143629638
4-bromonaphthalene-1-carbaldehyde;1,4-dibromonaphthalene;ethane
CID 158185704
4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
CID 158869252
3-(2-methylacridin-3-yl)acridine-2-carbaldehyde
CID 58719315
4-(4-chloronaphthalen-1-yl)-3-methylbenzaldehyde
CID 81448180

Frequently Asked Questions

What is the IUPAC name of [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium?
The IUPAC name of [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium (CID 143629679) is [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium.
What is the SMILES notation for [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium?
The canonical SMILES for [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium is Cc1cc2ncn([Tl])c2cc1-c1ccc(C=O)c2ccccc12.
What is the InChIKey of [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium?
The InChIKey is GVPGDYLGFNDWIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14N2O.Tl/c1-12-8-18-19(21-11-20-18)9-17(12)16-7-6-13(10-22)14-4-2-3-5-15(14)16;/h2-11H,1H3,(H,20,21,22);/q;+1/p-1.
What are the key properties of [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium?
[6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium has a molecular weight of 489.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-formylnaphthalen-1-yl)-5-methylbenzimidazol-1-yl]thallium is sourced from PubChem (CID 143629679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).