2-ethyl-3aH-benzimidazole

C9H10N2 — CID 53400607

IUPAC2-ethyl-3aH-benzimidazole
SMILESCCC1=NC2C=CC=CC2=N1
InChIInChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-7H,2H2,1H3
InChIKeyCKCPFBBCLBZDTG-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.74
Rot. Bonds1

About 2-ethyl-3aH-benzimidazole

2-ethyl-3aH-benzimidazole (PubChem CID 53400607) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethyl-3aH-benzimidazole.

Molecular Properties

Compound Name2-ethyl-3aH-benzimidazole
PubChem CID53400607
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-ethyl-3aH-benzimidazole
SMILESCCC1=NC2C=CC=CC2=N1
InChIInChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-7H,2H2,1H3
InChIKeyCKCPFBBCLBZDTG-UHFFFAOYSA-N
XLogP1.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3aH-benzimidazole?
The IUPAC name of 2-ethyl-3aH-benzimidazole (CID 53400607) is 2-ethyl-3aH-benzimidazole.
What is the SMILES notation for 2-ethyl-3aH-benzimidazole?
The canonical SMILES for 2-ethyl-3aH-benzimidazole is CCC1=NC2C=CC=CC2=N1.
What is the InChIKey of 2-ethyl-3aH-benzimidazole?
The InChIKey is CKCPFBBCLBZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-3aH-benzimidazole?
2-ethyl-3aH-benzimidazole has a molecular weight of 146.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3aH-benzimidazole is sourced from PubChem (CID 53400607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).