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

C13H20N2 — CID 83218210

IUPAC6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
SMILESCC1CCc2c(nc3n2CCCC3)C1C
InChIInChI=1S/C13H20N2/c1-9-6-7-11-13(10(9)2)14-12-5-3-4-8-15(11)12/h9-10H,3-8H2,1-2H3
InChIKeyNHIMJSDHISSSFL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.91
Rot. Bonds

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

6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole (PubChem CID 83218210) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
PubChem CID83218210
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
SMILESCC1CCc2c(nc3n2CCCC3)C1C
InChIInChI=1S/C13H20N2/c1-9-6-7-11-13(10(9)2)14-12-5-3-4-8-15(11)12/h9-10H,3-8H2,1-2H3
InChIKeyNHIMJSDHISSSFL-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 125453034
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CID 107078221
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
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ethane;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143209062
5,6-dimethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
CID 106260068
5-ethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene
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3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149171
3-bromo-2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83681530
ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
CID 143847945
3-(4-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057348
1,3-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 104628452

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole (CID 83218210) is 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole is CC1CCc2c(nc3n2CCCC3)C1C.
What is the InChIKey of 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole?
The InChIKey is NHIMJSDHISSSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-6-7-11-13(10(9)2)14-12-5-3-4-8-15(11)12/h9-10H,3-8H2,1-2H3.
What are the key properties of 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole?
6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole has a molecular weight of 204.32 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 83218210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).