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

C10H16N2 — CID 145305479

IUPAC1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen
SMILESC1=c2nc[nH]c2=CC2CC12.CC.[H][H]
InChIInChI=1S/C8H8N2.C2H6.H2/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2;/h2-6H,1H2,(H,9,10);1-2H3;1H
InChIKeyASWDWFIHCJUNJY-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.89
Rot. Bonds

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

1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen (PubChem CID 145305479) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen
PubChem CID145305479
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen
SMILESC1=c2nc[nH]c2=CC2CC12.CC.[H][H]
InChIInChI=1S/C8H8N2.C2H6.H2/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2;/h2-6H,1H2,(H,9,10);1-2H3;1H
InChIKeyASWDWFIHCJUNJY-UHFFFAOYSA-N
XLogP0.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
CID 70866026
6-ethyl-5,6-dihydro-1H-benzimidazole
CID 89554317
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
4-methyl-5,6-dihydro-1H-benzimidazole
CID 130254986
6,6-Dimethyl-1,5-dihydrobenzimidazole
CID 137427616
8,10-Diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen
CID 142072552
Ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
CID 142389765
Ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
CID 142389786
6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen
CID 143181218
ethane;4-methyl-5,6-dihydro-1H-benzimidazole
CID 143334436
3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
CID 143453304

Frequently Asked Questions

What is the IUPAC name of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen?
The IUPAC name of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen (CID 145305479) is 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen.
What is the SMILES notation for 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen?
The canonical SMILES for 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen is C1=c2nc[nH]c2=CC2CC12.CC.[H][H].
What is the InChIKey of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen?
The InChIKey is ASWDWFIHCJUNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6.H2/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2;/h2-6H,1H2,(H,9,10);1-2H3;1H.
What are the key properties of 1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen?
1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen has a molecular weight of 164.25 g/mol, XLogP of 0.89, 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;molecular hydrogen is sourced from PubChem (CID 145305479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).