1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane

C10H14N2 — CID 166131573

IUPAC1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane
SMILESC1=c2nc[nH]c2=CC2CC12.CC
InChIInChI=1S/C8H8N2.C2H6/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2/h2-6H,1H2,(H,9,10);1-2H3
InChIKeyMDGQYRHRDOYXDK-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.65
Rot. Bonds

About 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane

1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane (PubChem CID 166131573) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane.

Molecular Properties

Compound Name1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane
PubChem CID166131573
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane
SMILESC1=c2nc[nH]c2=CC2CC12.CC
InChIInChI=1S/C8H8N2.C2H6/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2/h2-6H,1H2,(H,9,10);1-2H3
InChIKeyMDGQYRHRDOYXDK-UHFFFAOYSA-N
XLogP0.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane?
The IUPAC name of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane (CID 166131573) is 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane.
What is the SMILES notation for 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane?
The canonical SMILES for 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane is C1=c2nc[nH]c2=CC2CC12.CC.
What is the InChIKey of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane?
The InChIKey is MDGQYRHRDOYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2/h2-6H,1H2,(H,9,10);1-2H3.
What are the key properties of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane?
1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane has a molecular weight of 162.24 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane is sourced from PubChem (CID 166131573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).