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

C8H8N2 — CID 145305480

IUPAC1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
SMILESC1=c2nc[nH]c2=CC2CC12
InChIInChI=1S/C8H8N2/c1-5-2-7-8(3-6(1)5)10-4-9-7/h2-6H,1H2,(H,9,10)
InChIKeyIDWJJOCVNPVSGP-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.38
Rot. Bonds

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

1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole (PubChem CID 145305480) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole.

Molecular Properties

Compound Name1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
PubChem CID145305480
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
SMILESC1=c2nc[nH]c2=CC2CC12
InChIInChI=1S/C8H8N2/c1-5-2-7-8(3-6(1)5)10-4-9-7/h2-6H,1H2,(H,9,10)
InChIKeyIDWJJOCVNPVSGP-UHFFFAOYSA-N
XLogP-0.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.38
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?
The IUPAC name of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole (CID 145305480) is 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole.
What is the SMILES notation for 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
The canonical SMILES for 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole is C1=c2nc[nH]c2=CC2CC12.
What is the InChIKey of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
The InChIKey is IDWJJOCVNPVSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-5-2-7-8(3-6(1)5)10-4-9-7/h2-6H,1H2,(H,9,10).
What are the key properties of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole has a molecular weight of 132.17 g/mol, XLogP of -0.38, 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 is sourced from PubChem (CID 145305480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).