ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole

C11H16N2 — CID 165122887

IUPACethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
SMILESCC.Cn1cnc2c1=CC1CC1C=2
InChIInChI=1S/C9H10N2.C2H6/c1-11-5-10-8-3-6-2-7(6)4-9(8)11;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyDQXYXDNKIZNYAR-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.66
Rot. Bonds

About ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole

ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole (PubChem CID 165122887) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole.

Molecular Properties

Compound Nameethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
PubChem CID165122887
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
SMILESCC.Cn1cnc2c1=CC1CC1C=2
InChIInChI=1S/C9H10N2.C2H6/c1-11-5-10-8-3-6-2-7(6)4-9(8)11;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyDQXYXDNKIZNYAR-UHFFFAOYSA-N
XLogP0.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The IUPAC name of ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole (CID 165122887) is ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole.
What is the SMILES notation for ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The canonical SMILES for ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole is CC.Cn1cnc2c1=CC1CC1C=2.
What is the InChIKey of ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The InChIKey is DQXYXDNKIZNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-11-5-10-8-3-6-2-7(6)4-9(8)11;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole has a molecular weight of 176.26 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole is sourced from PubChem (CID 165122887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).