1-ethyl-3a,7a-dihydrobenzimidazole

C9H12N2 — CID 18345221

IUPAC1-ethyl-3a,7a-dihydrobenzimidazole
SMILESCCN1C=NC2C=CC=CC21
InChIInChI=1S/C9H12N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-9H,2H2,1H3
InChIKeyJUSVYNXIFGHHJJ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.21
Rot. Bonds1

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

1-ethyl-3a,7a-dihydrobenzimidazole (PubChem CID 18345221) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-ethyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name1-ethyl-3a,7a-dihydrobenzimidazole
PubChem CID18345221
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-ethyl-3a,7a-dihydrobenzimidazole
SMILESCCN1C=NC2C=CC=CC21
InChIInChI=1S/C9H12N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-9H,2H2,1H3
InChIKeyJUSVYNXIFGHHJJ-UHFFFAOYSA-N
XLogP1.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1-ethyl-3a,7a-dihydrobenzimidazole (CID 18345221) is 1-ethyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1-ethyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1-ethyl-3a,7a-dihydrobenzimidazole is CCN1C=NC2C=CC=CC21.
What is the InChIKey of 1-ethyl-3a,7a-dihydrobenzimidazole?
The InChIKey is JUSVYNXIFGHHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-3a,7a-dihydrobenzimidazole?
1-ethyl-3a,7a-dihydrobenzimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 18345221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).