6-ethyl-3a,7a-dihydro-1H-benzimidazole

C9H12N2 — CID 89093625

IUPAC6-ethyl-3a,7a-dihydro-1H-benzimidazole
SMILESCCC1=CC2NC=NC2C=C1
InChIInChI=1S/C9H12N2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h3-6,8-9H,2H2,1H3,(H,10,11)
InChIKeyUQXCHEPBGGWJRP-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds1

About 6-ethyl-3a,7a-dihydro-1H-benzimidazole

6-ethyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 89093625) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6-ethyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6-ethyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID89093625
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6-ethyl-3a,7a-dihydro-1H-benzimidazole
SMILESCCC1=CC2NC=NC2C=C1
InChIInChI=1S/C9H12N2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h3-6,8-9H,2H2,1H3,(H,10,11)
InChIKeyUQXCHEPBGGWJRP-UHFFFAOYSA-N
XLogP1.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 6-ethyl-3a,7a-dihydro-1H-benzimidazole (CID 89093625) is 6-ethyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 6-ethyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 6-ethyl-3a,7a-dihydro-1H-benzimidazole is CCC1=CC2NC=NC2C=C1.
What is the InChIKey of 6-ethyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is UQXCHEPBGGWJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h3-6,8-9H,2H2,1H3,(H,10,11).
What are the key properties of 6-ethyl-3a,7a-dihydro-1H-benzimidazole?
6-ethyl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 89093625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).