2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole

C12H18N2 — CID 83217367

IUPAC2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
SMILESCC1CCc2nc3c(n2C1)CCCC3
InChIInChI=1S/C12H18N2/c1-9-6-7-12-13-10-4-2-3-5-11(10)14(12)8-9/h9H,2-8H2,1H3
InChIKeyBZEMSFQADXITGU-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.34
Rot. Bonds

About 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole

2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole (PubChem CID 83217367) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
PubChem CID83217367
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
SMILESCC1CCc2nc3c(n2C1)CCCC3
InChIInChI=1S/C12H18N2/c1-9-6-7-12-13-10-4-2-3-5-11(10)14(12)8-9/h9H,2-8H2,1H3
InChIKeyBZEMSFQADXITGU-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole (CID 83217367) is 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole is CC1CCc2nc3c(n2C1)CCCC3.
What is the InChIKey of 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole?
The InChIKey is BZEMSFQADXITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-6-7-12-13-10-4-2-3-5-11(10)14(12)8-9/h9H,2-8H2,1H3.
What are the key properties of 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole?
2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 83217367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).