2-methylselanyl-1H-benzimidazole

C8H8N2Se — CID 583074

IUPAC2-methylselanyl-1H-benzimidazole
SMILESC[Se]c1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N2Se/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
InChIKeyQVMGGBXIEOVFDI-UHFFFAOYSA-N
MW211.13 g/mol
LogP0.94
Rot. Bonds1

About 2-methylselanyl-1H-benzimidazole

2-methylselanyl-1H-benzimidazole (PubChem CID 583074) has the molecular formula C8H8N2Se and a molecular weight of 211.13 g/mol. Its IUPAC name is 2-methylselanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-methylselanyl-1H-benzimidazole
PubChem CID583074
Molecular FormulaC8H8N2Se
Molecular Weight211.13 g/mol
Exact Mass211.99
IUPAC Name2-methylselanyl-1H-benzimidazole
SMILESC[Se]c1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N2Se/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
InChIKeyQVMGGBXIEOVFDI-UHFFFAOYSA-N
XLogP0.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(2-methylprop-2-enylselanyl)-1H-benzimidazole
CID 3739080
2-methyl-1H-benzimidazole
CID 11984
55,56,57,58,59,60,61,62,63,64,65,66-dodecazatridecacyclo[49.3.1.12,5.16,10.111,14.115,19.120,23.124,28.129,32.133,37.138,41.142,46.147,50]hexahexaconta-1(55),2,4,6(65),7,9,11,13,15(63),16,18,20,22,24(61),25,27,29,31,33,35,37(59),38,40,42,44,46(57),47,49,51,53-triacontaene
CID 102362260
methanamine;2-methyl-1H-benzimidazole
CID 143453689
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875
2-propan-2-yl-1H-benzimidazole
CID 22121
1H-benzimidazol-2-yl(trimethyl)-λ4-sulfane
CID 123457333
1H-benzimidazole-2-thiolate;ethane;zinc
CID 159834857
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214

Frequently Asked Questions

What is the IUPAC name of 2-methylselanyl-1H-benzimidazole?
The IUPAC name of 2-methylselanyl-1H-benzimidazole (CID 583074) is 2-methylselanyl-1H-benzimidazole.
What is the SMILES notation for 2-methylselanyl-1H-benzimidazole?
The canonical SMILES for 2-methylselanyl-1H-benzimidazole is C[Se]c1nc2ccccc2[nH]1.
What is the InChIKey of 2-methylselanyl-1H-benzimidazole?
The InChIKey is QVMGGBXIEOVFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2Se/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10).
What are the key properties of 2-methylselanyl-1H-benzimidazole?
2-methylselanyl-1H-benzimidazole has a molecular weight of 211.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylselanyl-1H-benzimidazole is sourced from PubChem (CID 583074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).