4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C13H16N2O — CID 115404726

IUPAC4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCOc1cccn2c3c(nc12)C(C)CCC3
InChIInChI=1S/C13H16N2O/c1-9-5-3-6-10-12(9)14-13-11(16-2)7-4-8-15(10)13/h4,7-9H,3,5-6H2,1-2H3
InChIKeyLINCZYCIAGSOLL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.78
Rot. Bonds1

About 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 115404726) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID115404726
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCOc1cccn2c3c(nc12)C(C)CCC3
InChIInChI=1S/C13H16N2O/c1-9-5-3-6-10-12(9)14-13-11(16-2)7-4-8-15(10)13/h4,7-9H,3,5-6H2,1-2H3
InChIKeyLINCZYCIAGSOLL-UHFFFAOYSA-N
XLogP2.78
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
CID 113303395
5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 115404304
14-methoxy-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 113315478
(8-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 115018583
13-fluoro-6-methoxy-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene
CID 116532616
10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 101467836
8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145458
8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915
3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145572
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117145429
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 115404726) is 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is COc1cccn2c3c(nc12)C(C)CCC3.
What is the InChIKey of 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is LINCZYCIAGSOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-3-6-10-12(9)14-13-11(16-2)7-4-8-15(10)13/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 216.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 115404726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).