2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole

C10H14N2 — CID 89313770

IUPAC2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole
SMILESCCC1=NC2C=CC=CC2(C)N1
InChIInChI=1S/C10H14N2/c1-3-9-11-8-6-4-5-7-10(8,2)12-9/h4-8H,3H2,1-2H3,(H,11,12)
InChIKeyCOPKBMMLESRSTF-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.65
Rot. Bonds1

About 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole

2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole (PubChem CID 89313770) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole.

Molecular Properties

Compound Name2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole
PubChem CID89313770
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole
SMILESCCC1=NC2C=CC=CC2(C)N1
InChIInChI=1S/C10H14N2/c1-3-9-11-8-6-4-5-7-10(8,2)12-9/h4-8H,3H2,1-2H3,(H,11,12)
InChIKeyCOPKBMMLESRSTF-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole?
The IUPAC name of 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole (CID 89313770) is 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole.
What is the SMILES notation for 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole?
The canonical SMILES for 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole is CCC1=NC2C=CC=CC2(C)N1.
What is the InChIKey of 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole?
The InChIKey is COPKBMMLESRSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-9-11-8-6-4-5-7-10(8,2)12-9/h4-8H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole?
2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole has a molecular weight of 162.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7a-methyl-1,3a-dihydrobenzimidazole is sourced from PubChem (CID 89313770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).