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

C13H16N2 — CID 115403169

IUPAC6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCC1Cc2c(nc3ccccn23)C(C)C1
InChIInChI=1S/C13H16N2/c1-9-7-10(2)13-11(8-9)15-6-4-3-5-12(15)14-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLQGMKDIYVXWYFP-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.02
Rot. Bonds

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

6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 115403169) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID115403169
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCC1Cc2c(nc3ccccn23)C(C)C1
InChIInChI=1S/C13H16N2/c1-9-7-10(2)13-11(8-9)15-6-4-3-5-12(15)14-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLQGMKDIYVXWYFP-UHFFFAOYSA-N
XLogP3.02
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 115403169) is 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is CC1Cc2c(nc3ccccn23)C(C)C1.
What is the InChIKey of 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is LQGMKDIYVXWYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-7-10(2)13-11(8-9)15-6-4-3-5-12(15)14-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 200.29 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 115403169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).