ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole

C11H18N2 — CID 143245948

IUPACethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC.CCC1=NC2C=CC=CC2N1
InChIInChI=1S/C9H12N2.C2H6/c1-2-9-10-7-5-3-4-6-8(7)11-9;1-2/h3-8H,2H2,1H3,(H,10,11);1-2H3
InChIKeyWCSGFCVEIWCXDI-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.29
Rot. Bonds1

About ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole

ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 143245948) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Nameethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID143245948
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC.CCC1=NC2C=CC=CC2N1
InChIInChI=1S/C9H12N2.C2H6/c1-2-9-10-7-5-3-4-6-8(7)11-9;1-2/h3-8H,2H2,1H3,(H,10,11);1-2H3
InChIKeyWCSGFCVEIWCXDI-UHFFFAOYSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole (CID 143245948) is ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole is CC.CCC1=NC2C=CC=CC2N1.
What is the InChIKey of ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is WCSGFCVEIWCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-2-9-10-7-5-3-4-6-8(7)11-9;1-2/h3-8H,2H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole?
ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 178.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 143245948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).