3-ethyl-3aH-benzimidazole

C9H10N2 — CID 152748742

IUPAC3-ethyl-3aH-benzimidazole
SMILESCCN1C=NC2=CC=C=CC21
InChIInChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3,5-7,9H,2H2,1H3
InChIKeyYMVAEMJDGPLNJM-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.33
Rot. Bonds1

About 3-ethyl-3aH-benzimidazole

3-ethyl-3aH-benzimidazole (PubChem CID 152748742) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-ethyl-3aH-benzimidazole.

Molecular Properties

Compound Name3-ethyl-3aH-benzimidazole
PubChem CID152748742
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-ethyl-3aH-benzimidazole
SMILESCCN1C=NC2=CC=C=CC21
InChIInChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3,5-7,9H,2H2,1H3
InChIKeyYMVAEMJDGPLNJM-UHFFFAOYSA-N
XLogP1.33
TPSA15.60 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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS)-3-tert-butyl-6-fluoro-3a,4-dihydrobenzimidazole
CID 134239299
1-Ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole
CID 134239565
(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
1-Methyl-3a,7a-dihydrobenzimidazole
CID 15762982
1-Ethyl-3a,7a-dihydrobenzimidazole
CID 18345221
1,8a-Dihydroimidazo[1,5-a]pyridine
CID 20778855
1-Propan-2-yl-3a,7a-dihydrobenzimidazole
CID 58095321
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
3,7-Dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium
CID 59708818
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
1-Butyl-3-methyl-3a,7a-dihydrobenzimidazol-3-ium
CID 68200892
1,6-Dimethyl-3a,4-dihydrobenzimidazole
CID 68289396

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3aH-benzimidazole?
The IUPAC name of 3-ethyl-3aH-benzimidazole (CID 152748742) is 3-ethyl-3aH-benzimidazole.
What is the SMILES notation for 3-ethyl-3aH-benzimidazole?
The canonical SMILES for 3-ethyl-3aH-benzimidazole is CCN1C=NC2=CC=C=CC21.
What is the InChIKey of 3-ethyl-3aH-benzimidazole?
The InChIKey is YMVAEMJDGPLNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3,5-7,9H,2H2,1H3.
What are the key properties of 3-ethyl-3aH-benzimidazole?
3-ethyl-3aH-benzimidazole has a molecular weight of 146.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3aH-benzimidazole is sourced from PubChem (CID 152748742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).