ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole

C9H18N2 — CID 145039874

IUPACethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole
SMILESC1CCC2=C(C1)NCN2.CC
InChIInChI=1S/C7H12N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h8-9H,1-5H2;1-2H3
InChIKeyBPSXRUYTJVNCLK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.95
Rot. Bonds

About ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole

ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole (PubChem CID 145039874) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole.

Molecular Properties

Compound Nameethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole
PubChem CID145039874
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole
SMILESC1CCC2=C(C1)NCN2.CC
InChIInChI=1S/C7H12N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h8-9H,1-5H2;1-2H3
InChIKeyBPSXRUYTJVNCLK-UHFFFAOYSA-N
XLogP1.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole?
The IUPAC name of ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole (CID 145039874) is ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole.
What is the SMILES notation for ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole?
The canonical SMILES for ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole is C1CCC2=C(C1)NCN2.CC.
What is the InChIKey of ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole?
The InChIKey is BPSXRUYTJVNCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h8-9H,1-5H2;1-2H3.
What are the key properties of ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole?
ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,5,6,7-hexahydro-1H-benzimidazole is sourced from PubChem (CID 145039874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).