(6-methylbenzimidazol-1-yl)thallium

C8H7N2Tl — CID 142243531

IUPAC(6-methylbenzimidazol-1-yl)thallium
SMILESCc1ccc2ncn([Tl])c2c1
InChIInChI=1S/C8H7N2.Tl/c1-6-2-3-7-8(4-6)10-5-9-7;/h2-5H,1H3;/q-1;+1
InChIKeyNHZRYDONFICJRF-UHFFFAOYSA-N
MW335.54 g/mol
LogP1.28
Rot. Bonds

About (6-methylbenzimidazol-1-yl)thallium

(6-methylbenzimidazol-1-yl)thallium (PubChem CID 142243531) has the molecular formula C8H7N2Tl and a molecular weight of 335.54 g/mol. Its IUPAC name is (6-methylbenzimidazol-1-yl)thallium.

Molecular Properties

Compound Name(6-methylbenzimidazol-1-yl)thallium
PubChem CID142243531
Molecular FormulaC8H7N2Tl
Molecular Weight335.54 g/mol
Exact Mass336.04
IUPAC Name(6-methylbenzimidazol-1-yl)thallium
SMILESCc1ccc2ncn([Tl])c2c1
InChIInChI=1S/C8H7N2.Tl/c1-6-2-3-7-8(4-6)10-5-9-7;/h2-5H,1H3;/q-1;+1
InChIKeyNHZRYDONFICJRF-UHFFFAOYSA-N
XLogP1.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,6-dimethylbenzimidazole-1-carboxamide
CID 141344220
6-methyl-1-propylbenzimidazole
CID 122608641
1-(2-chlorophenyl)-6-methylbenzimidazole
CID 58893460
ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 145062266
tert-butyl 6-methylbenzimidazole-1-carboxylate
CID 59283343
1-bromo-5-methylbenzimidazole
CID 119086156
1,5-dimethylbenzimidazole;ethene
CID 145318091
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
CID 145068592
[5-(3-fluoro-4-formylphenyl)benzimidazol-1-yl]thallium
CID 143629688
(E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one
CID 122387047
5-methylbenzimidazole-1-carbonitrile
CID 134294655
1-ethynyl-5-methylbenzimidazole
CID 119085875

Frequently Asked Questions

What is the IUPAC name of (6-methylbenzimidazol-1-yl)thallium?
The IUPAC name of (6-methylbenzimidazol-1-yl)thallium (CID 142243531) is (6-methylbenzimidazol-1-yl)thallium.
What is the SMILES notation for (6-methylbenzimidazol-1-yl)thallium?
The canonical SMILES for (6-methylbenzimidazol-1-yl)thallium is Cc1ccc2ncn([Tl])c2c1.
What is the InChIKey of (6-methylbenzimidazol-1-yl)thallium?
The InChIKey is NHZRYDONFICJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.Tl/c1-6-2-3-7-8(4-6)10-5-9-7;/h2-5H,1H3;/q-1;+1.
What are the key properties of (6-methylbenzimidazol-1-yl)thallium?
(6-methylbenzimidazol-1-yl)thallium has a molecular weight of 335.54 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylbenzimidazol-1-yl)thallium is sourced from PubChem (CID 142243531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).