(5-bromo-4-methylbenzimidazol-1-yl)thallium

C8H6BrN2Tl — CID 143629713

IUPAC(5-bromo-4-methylbenzimidazol-1-yl)thallium
SMILESCc1c(Br)ccc2c1ncn2[Tl]
InChIInChI=1S/C8H6BrN2.Tl/c1-5-6(9)2-3-7-8(5)11-4-10-7;/h2-4H,1H3;/q-1;+1
InChIKeyKFJRFZJXOIOGKO-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.04
Rot. Bonds

About (5-bromo-4-methylbenzimidazol-1-yl)thallium

(5-bromo-4-methylbenzimidazol-1-yl)thallium (PubChem CID 143629713) has the molecular formula C8H6BrN2Tl and a molecular weight of 414.44 g/mol. Its IUPAC name is (5-bromo-4-methylbenzimidazol-1-yl)thallium.

Molecular Properties

Compound Name(5-bromo-4-methylbenzimidazol-1-yl)thallium
PubChem CID143629713
Molecular FormulaC8H6BrN2Tl
Molecular Weight414.44 g/mol
Exact Mass413.95
IUPAC Name(5-bromo-4-methylbenzimidazol-1-yl)thallium
SMILESCc1c(Br)ccc2c1ncn2[Tl]
InChIInChI=1S/C8H6BrN2.Tl/c1-5-6(9)2-3-7-8(5)11-4-10-7;/h2-4H,1H3;/q-1;+1
InChIKeyKFJRFZJXOIOGKO-UHFFFAOYSA-N
XLogP2.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylbenzimidazol-1-yl)thallium?
The IUPAC name of (5-bromo-4-methylbenzimidazol-1-yl)thallium (CID 143629713) is (5-bromo-4-methylbenzimidazol-1-yl)thallium.
What is the SMILES notation for (5-bromo-4-methylbenzimidazol-1-yl)thallium?
The canonical SMILES for (5-bromo-4-methylbenzimidazol-1-yl)thallium is Cc1c(Br)ccc2c1ncn2[Tl].
What is the InChIKey of (5-bromo-4-methylbenzimidazol-1-yl)thallium?
The InChIKey is KFJRFZJXOIOGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN2.Tl/c1-5-6(9)2-3-7-8(5)11-4-10-7;/h2-4H,1H3;/q-1;+1.
What are the key properties of (5-bromo-4-methylbenzimidazol-1-yl)thallium?
(5-bromo-4-methylbenzimidazol-1-yl)thallium has a molecular weight of 414.44 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylbenzimidazol-1-yl)thallium is sourced from PubChem (CID 143629713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).