ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen

C11H18N2 — CID 142389765

IUPACethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
SMILESCC.Cc1nc2c([nH]1)=CC1CC1C=2.[H][H]
InChIInChI=1S/C9H10N2.C2H6.H2/c1-5-10-8-3-6-2-7(6)4-9(8)11-5;1-2;/h3-4,6-7H,2H2,1H3,(H,10,11);1-2H3;1H
InChIKeyUABMMWMBTPUIGY-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.20
Rot. Bonds

About ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen

ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen (PubChem CID 142389765) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
PubChem CID142389765
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
SMILESCC.Cc1nc2c([nH]1)=CC1CC1C=2.[H][H]
InChIInChI=1S/C9H10N2.C2H6.H2/c1-5-10-8-3-6-2-7(6)4-9(8)11-5;1-2;/h3-4,6-7H,2H2,1H3,(H,10,11);1-2H3;1H
InChIKeyUABMMWMBTPUIGY-UHFFFAOYSA-N
XLogP1.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 149243999
2-methyl-5,6-dihydro-1H-benzimidazole
CID 68273979
2,6-dimethyl-5,6-dihydro-1H-benzimidazole
CID 89510027
2-propan-2-yl-5,6-dihydro-1H-benzimidazole
CID 129018981
2,6,6-Trimethyl-1,5-dihydrobenzimidazole
CID 138749559
ethane;2-ethyl-5,6-dihydro-1H-benzimidazole
CID 141790726
2-Methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
CID 142389766
Ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
CID 142389786
ethane;2-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen
CID 143489798
ethane;2-methyl-5,6-dihydro-1H-benzimidazole
CID 143929296
ethane;2-ethyl-5,6-dihydro-1H-benzimidazole
CID 144281312
1,4a,5,5a-Tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen
CID 145305479

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen?
The IUPAC name of ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen (CID 142389765) is ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen is CC.Cc1nc2c([nH]1)=CC1CC1C=2.[H][H].
What is the InChIKey of ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen?
The InChIKey is UABMMWMBTPUIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6.H2/c1-5-10-8-3-6-2-7(6)4-9(8)11-5;1-2;/h3-4,6-7H,2H2,1H3,(H,10,11);1-2H3;1H.
What are the key properties of ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen?
ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen has a molecular weight of 178.28 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen is sourced from PubChem (CID 142389765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).