2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole

C10H14N2 — CID 59585993

IUPAC2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole
SMILESCCC1=NC2C(=CC=CC2C)N1
InChIInChI=1S/C10H14N2/c1-3-9-11-8-6-4-5-7(2)10(8)12-9/h4-7,10H,3H2,1-2H3,(H,11,12)
InChIKeyQSFOLXRECKMOAL-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.86
Rot. Bonds1

About 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole

2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole (PubChem CID 59585993) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole
PubChem CID59585993
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole
SMILESCCC1=NC2C(=CC=CC2C)N1
InChIInChI=1S/C10H14N2/c1-3-9-11-8-6-4-5-7(2)10(8)12-9/h4-7,10H,3H2,1-2H3,(H,11,12)
InChIKeyQSFOLXRECKMOAL-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole (CID 59585993) is 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole is CCC1=NC2C(=CC=CC2C)N1.
What is the InChIKey of 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole?
The InChIKey is QSFOLXRECKMOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-9-11-8-6-4-5-7(2)10(8)12-9/h4-7,10H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole?
2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole has a molecular weight of 162.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 59585993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).