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

C13H14N2O — CID 83966113

IUPAC4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde
SMILESCc1cc(C=O)cn2c3c(nc12)CCCC3
InChIInChI=1S/C13H14N2O/c1-9-6-10(8-16)7-15-12-5-3-2-4-11(12)14-13(9)15/h6-8H,2-5H2,1H3
InChIKeyMPUKKIITVBFLKY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.33
Rot. Bonds1

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

4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde (PubChem CID 83966113) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde
PubChem CID83966113
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde
SMILESCc1cc(C=O)cn2c3c(nc12)CCCC3
InChIInChI=1S/C13H14N2O/c1-9-6-10(8-16)7-15-12-5-3-2-4-11(12)14-13(9)15/h6-8H,2-5H2,1H3
InChIKeyMPUKKIITVBFLKY-UHFFFAOYSA-N
XLogP2.33
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde?
The IUPAC name of 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde (CID 83966113) is 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde.
What is the SMILES notation for 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde?
The canonical SMILES for 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde is Cc1cc(C=O)cn2c3c(nc12)CCCC3.
What is the InChIKey of 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde?
The InChIKey is MPUKKIITVBFLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-6-10(8-16)7-15-12-5-3-2-4-11(12)14-13(9)15/h6-8H,2-5H2,1H3.
What are the key properties of 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde?
4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde is sourced from PubChem (CID 83966113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).