7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C15H20N2 — CID 114933811

IUPAC7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCCC1CCc2c(nc3cc(C)cc(C)n23)C1
InChIInChI=1S/C15H20N2/c1-4-12-5-6-14-13(9-12)16-15-8-10(2)7-11(3)17(14)15/h7-8,12H,4-6,9H2,1-3H3
InChIKeyGKBLWLFUXVFRTM-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.47
Rot. Bonds1

About 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 114933811) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID114933811
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCCC1CCc2c(nc3cc(C)cc(C)n23)C1
InChIInChI=1S/C15H20N2/c1-4-12-5-6-14-13(9-12)16-15-8-10(2)7-11(3)17(14)15/h7-8,12H,4-6,9H2,1-3H3
InChIKeyGKBLWLFUXVFRTM-UHFFFAOYSA-N
XLogP3.47
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 114933811) is 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is CCC1CCc2c(nc3cc(C)cc(C)n23)C1.
What is the InChIKey of 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is GKBLWLFUXVFRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-12-5-6-14-13(9-12)16-15-8-10(2)7-11(3)17(14)15/h7-8,12H,4-6,9H2,1-3H3.
What are the key properties of 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 228.34 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 114933811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).