ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen

C11H22N2 — CID 143568151

IUPACethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen
SMILESCC.CCC1CCc2nc[nH]c2C1.[H][H]
InChIInChI=1S/C9H14N2.C2H6.H2/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-2;/h6-7H,2-5H2,1H3,(H,10,11);1-2H3;1H
InChIKeyULEZKYVZKHZMTH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.20
Rot. Bonds1

About ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen

ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen (PubChem CID 143568151) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen.

Molecular Properties

Compound Nameethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen
PubChem CID143568151
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen
SMILESCC.CCC1CCc2nc[nH]c2C1.[H][H]
InChIInChI=1S/C9H14N2.C2H6.H2/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-2;/h6-7H,2-5H2,1H3,(H,10,11);1-2H3;1H
InChIKeyULEZKYVZKHZMTH-UHFFFAOYSA-N
XLogP3.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen?
The IUPAC name of ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen (CID 143568151) is ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen.
What is the SMILES notation for ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen?
The canonical SMILES for ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen is CC.CCC1CCc2nc[nH]c2C1.[H][H].
What is the InChIKey of ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen?
The InChIKey is ULEZKYVZKHZMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6.H2/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-2;/h6-7H,2-5H2,1H3,(H,10,11);1-2H3;1H.
What are the key properties of ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen?
ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen has a molecular weight of 182.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen is sourced from PubChem (CID 143568151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).